(3-bromo-phenyl)-dithiocarbamic acid | 56356-83-3

• 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: (3-bromo-phenyl)-dithiocarbamic acid
• 英文别名: (3-Brom-phenyl)-dithiocarbamidsaeure；(3-Bromophenyl)carbamodithioic acid；(3-bromophenyl)carbamodithioic acid
• CAS: 56356-83-3
• 化学式: C₇H₆BrNS₂
• 分子量: 248.167
• InChiKey: TYICURTXIMBRSH-UHFFFAOYSA-N

物化性质

• 沸点：
  296.7±42.0 °C(Predicted)
• 密度：
  1.722±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  (3-bromo-phenyl)-dithiocarbamic acid 在 盐酸 、 aluminum oxide 、 sodium monochloroacetic acid 作用下， 以 水 为溶剂， 反应 4.03h， 生成 methyl (R)-4-((5R,8S,9S,10R,13R,14S,17R)-3,6-bis(2-((3-bromophenyl)carbamothioyl)hydrazineylidene)-10,13-dimethylhexadecahydro-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 、 间溴苯胺 在 氨 作用下， 以 水 为溶剂， 生成 (3-bromo-phenyl)-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

• Synthesis of Novel Alkoxycarbonyl Thiosemicarbazide Molecular Tweezers derived from Deoxycholic Acid under Microwave Irradiation
  作者：Yu Chen、ZhiGang Zhao、XingLi Liu、ZhiChuan Shi

  DOI：10.3184/030823410x520732

  日期：2010.7

  3α-(1-naphthoyl) deoxycholic acid methyl ester were synthesised under microwave irradiation. Their structures were characterised by 1H NMR, IR, MS spectra and elemental analysis. Their chiral recognition properties for the methyl esters of amino acids were investigated. The preliminary results showed that these molecular tweezers have good enantioselective recognition for D/L-amino acid methyl esters.

  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。
• Trialkylamine salts of dithiocarbanilic acids
  申请人：DOW CHEMICAL CO

  公开号：US02827483A1

  公开（公告）日：1958-03-18
• US4130578A
  申请人：——

  公开号：US4130578A

  公开（公告）日：1978-12-19
• US4166866A
  申请人：——

  公开号：US4166866A

  公开（公告）日：1979-09-04
• 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.