n-butyl N-(2-cyanophenyl)thiocarbamate

• 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-butyl N-(2-cyanophenyl)thiocarbamate
• 英文别名: O-butyl N-(2-cyanophenyl)carbamothioate
• 化学式: C₁₂H₁₄N₂OS
• 分子量: 234.322
• InChiKey: IEWYLWUGWJMHJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氰基苯基异氰酸酯 、 正丁醇 在 sodium hydride 作用下， 反应 0.05h， 以93%的产率得到n-butyl N-(2-cyanophenyl)thiocarbamate
  参考文献：
  名称：

  Expeditious routes to 4-alkoxyquinazoline-2-carbonitriles and thiocarbamates via N-arylimino-1,2,3-dithiazoles using microwave irradiation

  摘要：

  Conversion of N-arylimino-4-chloro-5H-1,2,3-dithiazole 11 into the 4-alkoxyquinazoline-2-carbonitriles 13a-i and of the aryl isothiocyanates 15 into aryl thiocarbamates 16a-j with sodium alkoxides in the corresponding alcohol, either by conventional thermolysis or by microwave irradiation are described and directly compared. Microwave irradiation of the solutions in open vessels in a monomode system with focused irradiation and continuous temperature control (Synthewave S402 reactor) usually gave cleaner, faster and higher yielding reactions. These reactions could be safely and beneficially scaled up to multigram quantities in a larger reactor (Synthewave S1000). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00276-2

文献信息

• Expeditious routes to 4-alkoxyquinazoline-2-carbonitriles and thiocarbamates via N-arylimino-1,2,3-dithiazoles using microwave irradiation
  作者：Thierry Besson、Marie-Joëlle Dozias、Jérôme Guillard、Patrick Jacquault、Marie-Dominique Legoy、Charles W. Rees

  DOI：10.1016/s0040-4020(98)00276-2

  日期：1998.6

  Conversion of N-arylimino-4-chloro-5H-1,2,3-dithiazole 11 into the 4-alkoxyquinazoline-2-carbonitriles 13a-i and of the aryl isothiocyanates 15 into aryl thiocarbamates 16a-j with sodium alkoxides in the corresponding alcohol, either by conventional thermolysis or by microwave irradiation are described and directly compared. Microwave irradiation of the solutions in open vessels in a monomode system with focused irradiation and continuous temperature control (Synthewave S402 reactor) usually gave cleaner, faster and higher yielding reactions. These reactions could be safely and beneficially scaled up to multigram quantities in a larger reactor (Synthewave S1000). (C) 1998 Elsevier Science Ltd. All rights reserved.