苯基硫代氨基甲酸S-甲酯 | 13509-38-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯基硫代氨基甲酸S-甲酯
• 英文名称: N-phenyl-S-methyl-thiocarbamate
• 英文别名: S-methyl N-phenylthiocarbamate；phenyl-thiocarbamic acid S-methyl ester；Phenyl-thiocarbamidsaeure-S-methylester；Thiocarbanilsaeure-S-methylester；Phenyl-thiocarbamidsaeure-S-methylester；S-Methyl-phenylthiolcarbaminsaeure；S-Methyl thiocarbanilate；S-methyl N-phenylcarbamothioate
• CAS: 13509-38-1
• 化学式: C₈H₉NOS
• 分子量: 167.232
• InChiKey: PUIULWGWXRSXTC-UHFFFAOYSA-N

物化性质

• 熔点：
  80 °C
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 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：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  苯基硫代氨基甲酸S-甲酯 、 苯胺 生成 1,1-二苯基脲
  参考文献：
  名称：

  Will, Chemische Berichte, 1882, vol. 15, p. 342

  摘要：

  DOI：
• 作为产物：
  描述：

  Phenylimidothiokohlensaeure-dimethylester 在 盐酸 、 苯 作用下， 生成 苯基硫代氨基甲酸S-甲酯
  参考文献：
  名称：

  Wheeler; Dustin, American Chemical Journal, 1900, vol. 24, p. 435

  摘要：

  DOI：

文献信息

• Novel synthesis of S-alkyl thiocarbamates from amines, carbon monoxide, elemental sulfur, and alkyl halides in the presence of a selenium catalyst
  作者：Takumi Mizuno、Ikuzo Nishiguchi、Noboru Sonoda

  DOI：10.1016/s0040-4020(01)85637-4

  日期：1994.1

  thiocarbamates. On the basis of the high catalytic activity of selenium for carbonylation of amines with carbon monoxide in addition to these important findings, a convenient new method for synthesis of S-alkyl thiocarbamates was developed through the carbonylation of amines with carbon monoxide and elemental sulfur in the presence of a selenium catalyst under mild conditions followed by alkylation of ammonium

  硒化羰基化物在低温下容易与元素硫反应，以高收率形成羰基硫化物，硒代氨基甲酸盐的铵盐与元素硫的反应可立即转化为硫代氨基甲酸盐。除了这些重要发现以外，基于硒对胺与一氧化碳羰基化的高催化活性，还开发了一种方便的新方法，用于合成S-烷基硫代氨基甲酸酯，方法是将胺与一氧化碳和元素硫进行羰基化。在温和条件下存在硒催化剂，然后将硫代氨基甲酸酯的铵盐与烷基卤化物烷基化。
• ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION
  申请人：ASAHI KASEI CHEMICALS CORPORATION

  公开号：US20160016901A1

  公开（公告）日：2016-01-21

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  该发明涉及一种使用有机初级胺和硫脲作为起始原料的异硫氰酸酯生产方法；一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的羰基的当量重量比在1到100的范围内；一种用于运输和储存具有硫脲基团的化合物的组合物，包括具有硫脲基团的化合物和羟基化合物，羟基化合物的羟基与具有硫脲基团的化合物的硫脲基团的当量重量比在1到100的范围内；以及含有异硫氰酸酯和具有特定功能基团的化合物的异硫氰酸酯组合物。
• A New One-pot Synthesis of Thiocarbamates from Isocyanates and Disulfides in the Presence of Zn/AlCl₃System
  作者：Barahman Movassagh、Yousef Zakinezhad

  DOI：10.1246/cl.2005.1330

  日期：2005.10

  A novel method has been developed for the synthesis of S-alkyl(aryl) thiocarbamates. The route involves, first, the formation of zinc thiolates by reductive cleavage of disulfides in the presence o...

  开发了一种合成 S-烷基（芳基）硫代氨基甲酸酯的新方法。该路线涉及，首先，通过二硫化物的还原裂解形成硫醇锌...
• Synthesis ofN-arylS-alkylthiocarbamates
  作者：Mamoru Koketsu、Chikashi Kobayashi、Hideharu Ishihara

  DOI：10.1002/hc.10163

  日期：——

  Several N-aryl S-alkylthiocarbamates were synthesized by reactions of isocyanates with LiAlHSH and then with alkyl halides. © 2003 Wiley Periodicals, Inc. Heteroatom Chem 14:374–378, 2003; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.10163

  通过异氰酸酯与 LiAlHSH 然后与烷基卤反应合成了几种 N-芳基 S-烷基硫代氨基甲酸酯。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:374–378, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10163
• Facile S-alkyl thiocarbamate synthesis by a novel DBU-assisted carbonylation of amines with carbon monoxide and sulfur
  作者：Takumi Mizuno、Junko Takahashi、Akiya Ogawa

  DOI：10.1016/s0040-4020(03)00031-0

  日期：2003.2

  A novel DBU-assisted carbonylation of amines with carbon monoxide and sulfur has been developed for the synthesis of S-alkyl thiocarbamates. In the presence of DBU (1,8-diazabicyclo[5.4.0]undec-7-ene), S-alkyl thiocarbamates are synthesized in excellent yields from amines, carbon monoxide, sulfur, and alkyl halides under mild conditions (1 atm, 20°C). In the absence of DBU, however, no formation of

  已经开发了一种新颖的DBU辅助的胺与一氧化碳和硫的羰基化反应，以合成硫代氨基甲酸酯的S-烷基。在DBU（1,8-二氮杂双环[5.4.0]十一碳-7-烯）的存在下，š -烷基硫代氨基甲酸盐在选自胺，一氧化碳，硫，和烷基卤化物在温和条件下高收率合成（1个大气压， 20°C）。然而，在不存在DBU的情况下，未观察到S-烷基硫代氨基甲酸酯的形成。本DBU辅助的羰基化反应还可用于苯硫威和邻苯甲酸（除草剂）和氨基甲酰氯的新合成方法。