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Sustainable Triazine-Based Dehydro-Condensation Agents for Amide Synthesis
molecules Article Sustainable Triazine-Based Dehydro-Condensation Agents for Amide Synthesis Roberto Sole 1 , Vanessa Gatto 2 , Silvia Conca 1 , Noemi Bardella 1, Andrea Morandini 1 and Valentina Beghetto 1,2,* 1 Dipartimento di Scienze Molecolari e Nanosistemi, Università Ca’ Foscari di Venezia, Via Torino 155, 30172 Venezia, Italy; [email protected] (R.S.); [email protected] (S.C.); [email protected] (N.B.); [email protected] (A.M.) 2 Crossing srl, Viale della Repubblica 193/b, 31100 Treviso, Italy; [email protected] * Correspondence: [email protected]; Tel.: +39-041-2348928 Abstract: Conventional methods employed today for the synthesis of amides often lack of economic and environmental sustainability. Triazine-derived quaternary ammonium salts, e.g., 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMTMM(Cl)), emerged as promising dehydro-condensation agents for amide synthesis, although suffering of limited stability and high costs. In the present work, a simple protocol for the synthesis of amides mediated by 2-chloro-4,6-dimethoxy-1,3,5-triazine (CDMT) and a tert-amine has been described and data are compared to DMTMM(Cl) and other CDMT-derived quaternary ammonium salts (DMT-Ams(X), X: − − Cl or ClO4 ). Different tert-amines (Ams) were tested for the synthesis of various DMT-Ams(Cl), but only DMTMM(Cl) could be isolated and employed for dehydro-condensation reactions, while all CDMT/tert-amine systems tested were efficient as dehydro-condensation agents. Interestingly, in best reaction conditions, CDMT and 1,4-dimethylpiperazine gave N-phenethyl benzamide in 93% yield in 15 min, with up to half the amount of tert-amine consumption. -
Loradchemical.Com Safety Data Sheet 1. Product And
LORADCHEMICAL.COM ! ! SAFETY DATA SHEET 1. PRODUCT AND COMPANY IDENTIFICATION Trade Name: Manganese Dioxide Chemical Formula: MnO2 Manufacturer Item Number: MA-3215 Manufacturer: Lorad Chemical Corporation 1200 19th Street North Saint Petersburg, Florida, 33713 United States of America Telephone: +1 (727) 826–5511 Fax: +1 (727) 826–5510 Emergency Contact: (800) 255–3924 (US & Canada) +1 (813) 248–0573 (International) 2. HAZARD IDENTIFICATION Signal Word: Warning Pictograms: " Hazard Statements: H302 Harmful if swallowed. H319 Causes serious eye irritation. H332 Harmful if inhaled. H335 May cause respiratory irritation. Precautionary Statements: P261 Avoid breathing dust / fumes / gas / mist / vapors / spray. P264 Wash thoroughly after handling. P270 Do not eat drink or smoke when using this product. P271 Use only outdoors or in a well-ventilated area. P301+312 IF SWALLOWED: Call a POISON CENTER or physician if you feel unwell. P304+312+340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER or physician if you feel unwell. P305+351+338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P312 Call a POISON CENTER or physician if you feel unwell. P330 Rinse mouth. P337+313 If eye irritation persists: Get medical advice / attention. P403+233 Store in a well ventilated place. Keep container tightly closed. P405 Store locked up. P501 Dispose of contents / containers in accordance with local / regional / national / international regulations. HMIS Health Ratings (0-4) - Health: 2* - Flammability: 0 - Physical: 0 3. COMPOSITION Additional Names: Manganese(IV) Oxide Page 1! of !5 LORADCHEMICAL.COM ! ! SAFETY DATA SHEET Percentage: 100 wt% CAS #: 1313-13-9 EC #: 215-202-6 4. -
Evaluating Analytical Methods for Detecting Unknown Chemicals in Recycled Water
PROJECT NO. 4992 Evaluating Analytical Methods for Detecting Unknown Chemicals in Recycled Water Evaluating Analytical Methods for Detecting Unknown Chemicals in Recycled Water Prepared by: Keith A. Maruya Charles S. Wong Southern California Coastal Water Research Project Authority 2020 The Water Research Foundation (WRF) is a nonprofit (501c3) organization which provides a unified source for One Water research and a strong presence in relationships with partner organizations, government and regulatory agencies, and Congress. The foundation conducts research in all areas of drinking water, wastewater, stormwater, and water reuse. The Water Research Foundation’s research portfolio is valued at over $700 million. The Foundation plays an important role in the translation and dissemination of applied research, technology demonstration, and education, through creation of research‐based educational tools and technology exchange opportunities. WRF serves as a leader and model for collaboration across the water industry and its materials are used to inform policymakers and the public on the science, economic value, and environmental benefits of using and recovering resources found in water, as well as the feasibility of implementing new technologies. For more information, contact: The Water Research Foundation Alexandria, VA Office Denver, CO Office 1199 North Fairfax Street, Suite 900 6666 West Quincy Avenue Alexandria, VA 22314‐1445 Denver, Colorado 80235‐3098 Tel: 571.384.2100 Tel: 303.347.6100 www.waterrf.org [email protected] ©Copyright 2020 by The Water Research Foundation. All rights reserved. Permission to copy must be obtained from The Water Research Foundation. WRF ISBN: 978‐1‐60573‐503‐0 WRF Project Number: 4992 This report was prepared by the organization(s) named below as an account of work sponsored by The Water Research Foundation. -
Nitrosamines EMEA-H-A5(3)-1490
25 June 2020 EMA/369136/2020 Committee for Medicinal Products for Human Use (CHMP) Assessment report Procedure under Article 5(3) of Regulation EC (No) 726/2004 Nitrosamine impurities in human medicinal products Procedure number: EMEA/H/A-5(3)/1490 Note: Assessment report as adopted by the CHMP with all information of a commercially confidential nature deleted. Official address Domenico Scarlattilaan 6 ● 1083 HS Amsterdam ● The Netherlands Address for visits and deliveries Refer to www.ema.europa.eu/how-to-find-us Send us a question Go to www.ema.europa.eu/contact Telephone +31 (0)88 781 6000 An agency of the European Union © European Medicines Agency, 2020. Reproduction is authorised provided the source is acknowledged. Table of contents Table of contents ...................................................................................... 2 1. Information on the procedure ............................................................... 7 2. Scientific discussion .............................................................................. 7 2.1. Introduction......................................................................................................... 7 2.2. Quality and safety aspects ..................................................................................... 7 2.2.1. Root causes for presence of N-nitrosamines in medicinal products and measures to mitigate them............................................................................................................. 8 2.2.2. Presence and formation of N-nitrosamines -
Supporting Information Degradation
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is © The Royal Society of Chemistry 2021 Supporting Information Degradation Pathways of a highly active iron(III) tetra-NHC Epoxidation Catalyst Florian Dyckhoff, Jonas F. Schlagintweit, Marco A. Bernd, Christian H. G. Jakob, Tim P. Schlachta, Benjamin J. Hofmann, Robert M. Reich and Fritz E. Kühn* Molecular Catalysis, Catalysis Research Center and Department of Chemistry, Technische Universität München, Lichtenbergstrasse 4, D-85748 Garching bei München, Germany. [*] Corresponding author: Prof. Dr. Fritz E. Kühn, E-Mail: [email protected] Table of Contents 1. Effects of bases on 2, 2-tBuCN and 2-PhCN – Catalysis and UV/vis Spectroscopy 2 2. 1H-NMR Spectroscopic Studies 5 3. Synthesis and Characterization of compound 2-d8 7 4. ESI-MS Decomposition Studies 27 5. DFT Calculations 31 6. References 34 1 1. Effects of bases on 2, 2-tBuCN and 2-PhCN – Catalysis and UV/vis Spectroscopy All batch and time-dependent reactions were conducted in a cryostat (Julabo FP-50) with a total reaction volume of 2.0 mL. The catalyst (0.05 mol%, 0.067 µmol) was added from a preformed stock solution (4.0 mg/mL in the respective nitrile, i.e. acetonitrile, tert-butylnitrile or benzonitrile) according to the appropriate stoichiometry to a solution of cis-cyclooctene (100 mol%, 134.5 µmol), the respective additive (0.5 mol%, 0.67 µmol) and H2O2 (150 mol%, 202 µmol, 50% solution in H2O) in the appropriate solvent. The reaction was initiated upon addition of H2O2. The reaction was aborted by adding electrolytically precipitated activated MnO2 as a H2O2 decomposition agent. -
Chemical Innovation Technologies to Make Processes and Products More Sustainable
United States Government Accountability Office Center for Science, Technology, and Engineering Natural Resources and Environment Report to Congressional Requesters February 2018 TECHNOLOGY ASSESSMENT Chemical Innovation Technologies to Make Processes and Products More Sustainable GAO-18-307 The cover image displays a word cloud generated from the transcript of the meeting we convened with 24 experts in the field of sustainable chemistry. The size of the words in the cloud corresponds to the frequency with which each word appeared in the transcript. In most cases, similar words—such as singular and plural versions of the same word— were combined into a single term. Words that were unrelated to the topic of sustainable chemistry were removed. The images around the periphery are stylized representations of chemical molecules that seek to illustrate a new conceptual framework, whereby molecules can be transformed to provide better performance; however, they are not intended to represent specific chemical compounds. TECHNOLOGY ASSESSMENT Highlights of GAO-18-307, a report to congressional requesters Chemical Innovation February 2018 Technologies to Make Processes and Products More Sustainable Why GAO did this study What GAO found Chemistry contributes to virtually every Stakeholders lack agreement on how to define sustainable chemistry and how to aspect of modern life and the chemical measure or assess the sustainability of chemical processes and products; these industry supports more than 25 percent differences hinder the development and adoption of more sustainable chemistry of the gross domestic product of the technologies. However, based on a review of the literature and stakeholder United States. While these are positive interviews, GAO identified several common themes underlying what sustainable contributions, chemical production can chemistry strives to achieve, including: have negative health and environmental · improve the efficiency with which natural resources—including energy, consequences. -
Sodium Azide [Sep-100] for Control of Nematodes and Weed Problems in Green Pepper Production R
SODIUM AZIDE [SEP-100] FOR CONTROL OF NEMATODES AND WEED PROBLEMS IN GREEN PEPPER PRODUCTION R. Rodriguez-Kabana and J. R. Akridge, Auburn University and Alabama Agricultural Experiment Station Auburn, Alabama 36830, U.S.A. [email protected] ABSTRACT The efficacy of SEP-100, a liquid formulation of Na azide, as an alternative for methyl bromide (MB) in soil fumigation was studied in field experiments with ‘Aladdin’ green pepper [Capsicum annum]. Pre-plant applications of SEP-100 by drip irrigation to plastic covered beds at rates of 50, 75, 100, 125, 150, 175, and 200 lbs.a.i./A, were effective in controlling root-knot nematode (Meloidogyne incognita), purple nutsedge (Cyperus rotundus), and Panicum spp. Na azide rates > 100 lbs /A consistently equaled or outperformed MB (300 lbs/A) in controlling root-knot nematodes and weeds. Total marketable yields, and yields of Fancy, No. 1, and No. 2 peppers increased directly and linearly in relation to SEP 100 doses. MB fumigation resulted in increased marketable yield and increases in weights of all yield categories; however, these responses did not achieve the levels observed for SEP 100 rates > 125 lbs a.i./A. Results indicate that Na azide in the SEP-100 formulation is a practical and safe potential alternative to MB for soil fumigation in green pepper production. Key Words: azides, inorganic azides, herbicide, horticultural crops, hydrazoic acid, methyl bromide alternatives, nematicide, pest management, root-knot nematodes, soil-borne pests, soil fumigation, weed control. INTRODUCTION Green or bell peppers constitute over two-thirds of the total pepper production in North America (Sundstrom, 1992). -
Potassium Sulfite
Potassium sulfite sc-253311 Material Safety Data Sheet Hazard Alert Code Key: EXTREME HIGH MODERATE LOW Section 1 - CHEMICAL PRODUCT AND COMPANY IDENTIFICATION PRODUCT NAME Potassium sulfite STATEMENT OF HAZARDOUS NATURE CONSIDERED A HAZARDOUS SUBSTANCE ACCORDING TO OSHA 29 CFR 1910.1200. NFPA FLAMMABILITY0 HEALTH3 HAZARD INSTABILITY1 SUPPLIER Santa Cruz Biotechnology, Inc. 2145 Delaware Avenue Santa Cruz, California 95060 800.457.3801 or 831.457.3800 EMERGENCY ChemWatch Within the US & Canada: 877-715-9305 Outside the US & Canada: +800 2436 2255 (1-800-CHEMCALL) or call +613 9573 3112 SYNONYMS K2-S-O3, "potassium sulphite", "sulfurous acid, dipotassium salt", "sulphurous acid, dipotassium salt" Section 2 - HAZARDS IDENTIFICATION CHEMWATCH HAZARD RATINGS Min Max Flammability: 0 Toxicity: 2 Body Contact: 2 Min/Nil=0 Low=1 Reactivity: 1 Moderate=2 High=3 Chronic: 2 Extreme=4 CANADIAN WHMIS SYMBOLS EMERGENCY OVERVIEW 1 of 10 RISK Contact with acids liberates toxic gas. Irritating to eyes, respiratory system and skin. POTENTIAL HEALTH EFFECTS ACUTE HEALTH EFFECTS SWALLOWED ! Accidental ingestion of the material may be damaging to the health of the individual. ! Ingestion of sulfite salts may cause gastric irritation. Large doses may produce violent colic, diarrhea, circulatory disturbance, depression of vital functions and, sometimes, death. EYE ! This material can cause eye irritation and damage in some persons. SKIN ! This material can cause inflammation of the skin oncontact in some persons. ! The material may accentuate any pre-existing dermatitis condition. ! Skin contact is not thought to have harmful health effects, however the material may still produce health damage following entry through wounds, lesions or abrasions. -
Stabilization of Hexazine Rings in Potassium Polynitride at High Pressure
Stabilization of hexazine rings in potassium polynitride at high pressure Yu Wang1, Maxim Bykov2,3, Elena Bykova2, Xiao Zhang1, Shu-qing Jiang1, Eran Greenberg4, Stella Chariton4, Vitali B. Prakapenka4, Alexander F. Goncharov1,2, 1 Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, Anhui, People’s Republic of China 2 Earth and Planets Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, DC 20015, USA 3 Department of Mathematics, Howard University, Washington, DC 20059, USA 4 Center for Advanced Radiations Sources, University of Chicago, Chicago, Illinois 60637, USA Correspondence should be addressed to: [email protected] 1 Polynitrogen molecules represent the ultimate high energy-density materials as they have a huge potential chemical energy originating from their high enthalpy. However, synthesis and storage of such compounds remain a big challenge because of difficulties to find energy efficient synthetic routes and stabilization mechanisms. Compounds of metals with nitrogen represent promising candidates for realization of energetic polynitrogen compounds, which are also environmentally benign. Here we report the synthesis of polynitrogen planar N6 hexazine rings, stabilized in K2N6 compound, which was formed from K azide upon laser heating in a diamond anvil cell at high pressures in excess of 45 GPa and remains metastable down to 20 GPa. Synchrotron X-ray diffraction and Raman spectroscopy are used to identify this material, also exhibiting metallic luster, being all consistent with theoretically predicted structural, vibrational and electronic properties. The documented here N6 hexazine rings represent new highly energetic polynitrogens, which have a potential for future recovery and utilization. -
Download Author Version (PDF)
PCCP Accepted Manuscript This is an Accepted Manuscript, which has been through the Royal Society of Chemistry peer review process and has been accepted for publication. Accepted Manuscripts are published online shortly after acceptance, before technical editing, formatting and proof reading. Using this free service, authors can make their results available to the community, in citable form, before we publish the edited article. We will replace this Accepted Manuscript with the edited and formatted Advance Article as soon as it is available. You can find more information about Accepted Manuscripts in the Information for Authors. Please note that technical editing may introduce minor changes to the text and/or graphics, which may alter content. The journal’s standard Terms & Conditions and the Ethical guidelines still apply. In no event shall the Royal Society of Chemistry be held responsible for any errors or omissions in this Accepted Manuscript or any consequences arising from the use of any information it contains. www.rsc.org/pccp Page 1 of 14Journal Name Physical Chemistry Chemical Physics Dynamic Article Links ► Cite this: DOI: 10.1039/c0xx00000x www.rsc.org/xxxxxx ARTICLE TYPE Intermolecular X…X (X = C, N and O) Dipole Interaction between Atoms in Similar Chemical Environment Karunakaran Remya and Cherumuttathu H. Suresh* Received (in XXX, XXX) Xth XXXXXXXXX 20XX, Accepted Xth XXXXXXXXX 20XX 5 DOI: 10.1039/b000000x Manuscript Clear evidence for intermolecular carbon-carbon (C…C), nitrogen-nitrogen (N…N) and oxygen-oxygen (O…O) interactions between atoms in similar chemical environment in homogeneous dimers of organic molecules are obtained from molecular orbital (MO), natural bond orbital (NBO) and atoms-in-molecule (AIM) electron density analyses at M06L/6-311++G(d,p) level of DFT. -
The Vibration Spectra of Hydrazoic Acid, Methyl Azide, and Methyl Isocyanate
MAY, 1940 JOURNAL OF CHEMICAL PHYSICS VOLUME 8 The Vibration Spectra of Hydrazoic Acid, Methyl Azide, and Methyl Isocyanate The Thermodynamic Functions of Hydrazoic Acid EUGENE H. EYSTER,* Department of Physics, University of Michigan, Ann Arbor, Michigan AND R. H. GILLETTE, Department of Chemistry, University of Michigan, Ann Arbor, Michigan (Received February 5, 1940) The vibration spectra of hydrazoic acid, methyl azide, and methyl isocyanate have been investigated in the spectral region between 2 and 20~. Correlation of the spectra of these struc turally similar molecules has made possible the determination of all the fundamental fre quencies of hydrazoic acid and all but the methyl torsion frequency in the methyl compounds. From these fundamental frequencies and the known rotational constants, the usual thermo dynamic functions of hydrazoic acid have been calculated to the harmonic oscillator-rigid ro tator approximation. Equilibrium constants for some characteristic reactions have also been obtained. HE structures of hydrazoic acidl and of all but the methyl torsion oscillations in the T methyl azide2 have now been determined methyl compounds. From these results and the by physical methods, and can be readily inter rotational constants of hydrazoic acid,l it has preted in the light of the modern structural been possible to calculate the thermodynamic theory. The vibration spectrum of the acid has functions of the acid, and to conclude that the also been investigated by Davies,3 but he was azide and isocyanate groups are structurally unable to decide with certainty the magnitude of similar. the two lowest frequencies. Since these two EXPERIMENTAL vibrations are confined essentially to the azide group, it was thought that a comparison of the Hydrazoic acid was prepared by the method of spectra of hydrazoic acid and methyl azide would Dennis and Isham5 from recrystallized sodium aid in 8eciding which of the low'frequency bands azide. -
Chapter 2 Improvement of Heat Resistance of Poly(Methyl Methacrylate) by Addition of Lithium Salts
JAIST Repository https://dspace.jaist.ac.jp/ リチウム塩の添加がポリメタクリル酸メチルの特性に Title 及ぼす影響 Author(s) 伊藤, 麻絵 Citation Issue Date 2019-03 Type Thesis or Dissertation Text version ETD URL http://hdl.handle.net/10119/15795 Rights Description Supervisor:山口 政之, 先端科学技術研究科, 博士 Japan Advanced Institute of Science and Technology Effect of addition of lithium salts on properties of poly(methyl methacrylate) Asae Ito Japan Advanced Institute of Science and Technology Doctoral Dissertation Effect of addition of lithium salts on properties of poly(methyl methacrylate) Asae Ito Supervisor: Prof. Dr. Masayuki Yamaguchi Graduate School of Advanced Science and Technology Japan Advanced Institute of Science and Technology Materials Science March 2019 Referee-in-chief: Professor Masayuki Yamaguchi Japan Advanced Institute of Science and Technology Referees: Professor Masayuki Yamaguchi Japan Advanced Institute of Science and Technology Professor Tatsuo Kaneko Japan Advanced Institute of Science and Technology Associate Professor Toshiaki Taniike Japan Advanced Institute of Science and Technology Associate Professor Ken-ichi Shinohara Japan Advanced Institute of Science and Technology Professor Akihiro Nishioka Yamagata University Effect of addition of lithium salts on properties of poly(methyl methacrylate) Yamaguchi Laboratory Asae Ito (s1620002) Heat resistance and optical properties of amorphous polymers are important for engineering applications such as automobile parts, electrical devices, and displays. In general, a single plastic material often possesses poor physical properties for engineering application, so that the improvement of properties has been tried in decades. In particular, one of the promising processes to modify a polymer is mixing with low-molecular-weight compounds. Recently, it was found that the addition of a specific lithium salt enhances glass transition temperature (Tg) of poly(methyl methacrylate) (PMMA), which is a typical amorphous polymer.