N-(o-anisyl)dithiocarbamic acid | 53662-50-3

• 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-anisyl)dithiocarbamic acid
• 英文别名: Carbamodithioic acid, (2-methoxyphenyl)-；(2-methoxyphenyl)carbamodithioic acid
• CAS: 53662-50-3
• 化学式: C₈H₉NOS₂
• 分子量: 199.298
• InChiKey: PXJTZLRCBFFFLR-UHFFFAOYSA-N

物化性质

• 沸点：
  290.5±42.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(o-anisyl)dithiocarbamic acid 在 sodium monochloroacetic acid 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 4-(2-甲氧基苯基)-3-氨基硫脲
  参考文献：
  名称：

  微波辐射下无溶剂合成吲哚基缩氨基硫脲

  摘要：

  开发了一种快速、高效且环保的方法，用于在微波辅助无溶剂条件下以氧化铝为固体载体合成吲哚-3-甲醛缩氨基硫脲。与常规加热方法相比，该方法得到的目标产物收率良好。

  DOI：

  10.3184/030823410x12628833270368
• 作为产物：
  描述：

  二硫化碳 、 邻甲氧基苯胺 在 氨 作用下， 以 水 为溶剂， 生成 N-(o-anisyl)dithiocarbamic acid
  参考文献：
  名称：

  微波辐射下脱氧胆酸衍生新型烷氧基羰基氨基硫脲分子镊的合成

  摘要：

  在微波辐射下合成了一系列基于3α-​​(1-萘甲酰基)脱氧胆酸甲酯的新型12α-烷氧基羰基氨基硫脲分子镊子。它们的结构通过1H NMR、IR、MS光谱和元素分析表征。研究了它们对氨基酸甲酯的手性识别特性。初步结果表明，这些分子镊子对D/L-氨基酸甲酯具有良好的对映选择性识别。

  DOI：

  10.3184/030823410x520732

文献信息

• Microwave-Assisted Synthesis of New Steroidal Thiosemicarbazones Derived from methyl 3-Oxocholanate under Solvent-Free Conditions
  作者：Zhigang Zhao、Xingli Liu、Lingling Liu、Guohua Li

  DOI：10.3184/030823410x12798092457988

  日期：2010.8

  A series of novel steroidal thiosemicarbazones derived from methyl 3-oxocholanate were synthesised in good yields via microwave irradiation under solvent-free conditions. The structures of the compounds were confirmed by spectroscopic data. Compared to the conventional method, microwave irradiation was a fast and simple method. These compounds were tested for antibacterial activity against S. aureus, S. pyogenes, and E. coli bacteria.

  在无溶剂条件下，通过微波辐照合成了一系列新型甾体硫代氨基甲酸甲酯。光谱数据证实了这些化合物的结构。与传统方法相比，微波辐照是一种快速而简单的方法。测试了这些化合物对金黄色葡萄球菌、化脓性葡萄球菌和大肠杆菌的抗菌活性。
• Microwave-Assisted Synthesis and Antibacterial Activity of Novel Chenodeoxycholic Acid Thiosemicarbazone Derivatives
  作者：Liying Qiu、Zhichuan Shi、Qinggang Mei、Zhigang Zhao

  DOI：10.3184/174751911x13129090186347

  日期：2011.8

  A rapid and efficient method for the synthesis of novel chenodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave irradiation is reported. Ten novel compounds have been synthesised in good yields. Their structures were elucidated by ¹H NMR, IR, ESI-MS spectra and elemental analysis. Preliminary results showed that some of these compounds possess inhibitory effects against S. typhimurium and E. coli.

  报告了一种在无溶剂条件下利用微波辐照合成新型酚去氧胆酸硫代氨基甲酸脲衍生物的快速高效方法。十种新型化合物的合成收率良好。通过 1H NMR、IR、ESI-MS 光谱和元素分析阐明了它们的结构。初步结果表明，其中一些化合物对鼠伤寒杆菌和大肠杆菌具有抑制作用。
• Synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave
  作者：Zhi Chuan Shi、Zhi Gang Zhao、Xing Li Liu、Yu Chen

  DOI：10.1016/j.cclet.2010.10.020

  日期：2011.4

  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.
• 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.
• Yaday Lal Dhar S., Vaish Anium, Sharma Sangeeta, Indian J. Chem. B, 32 (1993) N 8, S 882-885
  作者：Yaday Lal Dhar S., Vaish Anium, Sharma Sangeeta

  DOI：——

  日期：——