N-(o-tolyl)dithiocarbamic acid | 45892-06-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(o-tolyl)dithiocarbamic acid
• 英文别名: o-tolyl-dithiocarbamic acid；o-Tolyl-dithiocarbamidsaeure；Carbamodithioic acid, (2-methylphenyl)-；(2-methylphenyl)carbamodithioic acid
• CAS: 45892-06-6
• 化学式: C₈H₉NS₂
• 分子量: 183.298
• InChiKey: DMDHNFSEAIONQN-UHFFFAOYSA-N

物化性质

• 熔点：
  135 °C
• 沸点：
  260.0±33.0 °C(Predicted)
• 密度：
  1.271±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  45.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(o-tolyl)dithiocarbamic acid 在 盐酸 、 aluminum oxide 、 sodium monochloroacetic acid 作用下， 以 水 为溶剂， 反应 4.04h， 生成 methyl (R)-4-((5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(2-(o-tolylcarbamothioyl)hydrazineylidene)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
  参考文献：
  名称：

  Synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave

  摘要：

  An efficient and simple method for synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave has been developed. Its main advantages are short reaction times, good conversions and the environmentally friendly nature of the process. The preliminary results indicate that some of these compounds possess inhibitory effects against E. coli. (C) 2010 Zhi Gang Zhao. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.10.020
• 作为产物：
  描述：

  二硫化碳 、 邻甲苯胺 在 碳酸氢钠 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 N-(o-tolyl)dithiocarbamic acid
  参考文献：
  名称：

  脱硫介导的钴合成异硫氰酸酯

  摘要：

  摘要描述了在廉价、易得且空气稳定的钴催化剂存在下，从各自的胺中构建芳香族和脂肪族异硫氰酸酯的高效且简单的方案。所有反应均在优化的反应条件下进行，并在较短的反应时间内以良好至极好的收率得到目标产物。图形概要

  DOI：

  10.1080/00397911.2016.1224351

文献信息

• Mercaptoacetic acid based expeditious synthesis of polyfunctionalised 1,3-thiazines
  作者：Lal Dhar S. Yadav、Seema Yadav、Vijai K. Rai

  DOI：10.1016/j.tet.2005.08.021

  日期：2005.10

  novel three-component expeditious synthesis of 3,6-diaryl-5-mercaptoperhydro-2-thioxo-1,3-thiazin-5-ones from 2-methyl-2-phenyl-1,3-oxathiolan-5-one, an aromatic aldehyde and an N-aryldithiocarbamic acid is reported. The synthesis is diastereoselective and involves tandem Knoevenagel, Michael and ring transformation reactions under solvent-free microwave irradiation in a one-pot procedure.

  由2-甲基-2-苯基-1,3-氧杂硫杂环戊烷-5-一个新颖的三组分快速合成3,6-二芳基-5-巯基氢-2-硫氧杂-1,3-噻嗪-5-酮，据报道有芳族醛和N-芳基二硫代氨基甲酸。该合成是非对映选择性的，并且在一锅法中在无溶剂微波辐射下进行了串联Knoevenagel，Michael和环转化反应。
• Parkin ligase activation methods and compositions
  申请人：An2H Discovery Limited

  公开号：US10155936B2

  公开（公告）日：2018-12-18

  The present invention is directed to methods and compositions for activating a Parkin ligase by administering to a subject in need thereof a therapeutically effective amount of a compound that disrupts at least one Parkin ligase zinc finger. The present invention is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase.

  本发明涉及通过向有需要的受试者施用治疗有效量的破坏至少一个Parkin连接酶锌指的化合物来激活Parkin连接酶的方法和组合物。本发明还涉及治疗和/或降低与激活Parkin连接酶有关的疾病或病症发病率的方法。
• Drosdow, Zhurnal Obshchei Khimii, 1937, vol. 7, p. 185
  作者：Drosdow

  DOI：——

  日期：——
• Heller; Bauer, Journal fur praktische Chemie (Leipzig 1954), 1872, vol. <2>5, p. 370
  作者：Heller、Bauer

  DOI：——

  日期：——
• 1H and13C NMR studies on 3-aryl-2-thioxo-4-oxazolidinones and 3-arylrhodanines
  作者：Zihni Aksaç、Esat Pinar、Sîddîk Içli

  DOI：10.1002/omr.1270210906

  日期：1983.9

  Abstract3‐Aryl‐2‐thioxo‐4‐oxazolidinones and 3‐arylrhodanines have been studied for magnetic non‐equivalence of diastereotopically related proton and 13C nuclei in rotational isomers, and for steric interactions between the aryl and heterocyclic moieties of these compounds. For the majority of rotational isomers the barriers to internal rotation about the aryl CN bond were >100 kJ mol−1, due to the steric bulk of the thiocarbonyl group. Chemical isolation of several of the diastereomers was achieved. The enhanced steric effect and the difference in the electronic effect of the sulphur atom in relation to the oxygen atom appeared to have no influence on the small chemical shift differences of the rotational isomers, detected for some 1H and some 13C nuclei.