2-(6-chloro-1,4-dihydro-2H-3,1-benzothiazin-2-ylidene)-1,3-propanedinitrile | 1421244-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-(6-chloro-1,4-dihydro-2H-3,1-benzothiazin-2-ylidene)-1,3-propanedinitrile
• 英文别名: 2-(6-Chloro-1,4-dihydro-3,1-benzothiazin-2-ylidene)propanedinitrile；2-(6-chloro-1,4-dihydro-3,1-benzothiazin-2-ylidene)propanedinitrile
• CAS: 1421244-58-7
• 化学式: C₁₁H₆ClN₃S
• 分子量: 247.708
• InChiKey: WBTHGPIISVZWON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-溴甲基-5-氯-2-异硫氰基苯 、 丙二腈 在 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 mineral oil 为溶剂， 反应 0.5h， 以82%的产率得到2-(6-chloro-1,4-dihydro-2H-3,1-benzothiazin-2-ylidene)-1,3-propanedinitrile
  参考文献：
  名称：

  One-Pot Synthesis of 2-(1,4-Dihydro-2H-3,1-benzothiazin-2-ylidene)propanedioic Acid Derivatives by the Reaction of 2-(1-Bromoalkyl)phenyl Isothiocyanates with Propanedioic Acid Derivatives Using Sodium Hydride

  摘要：

  An efficient one-pot procedure for the preparation of 2-(1,4-dihydro-2H-3,1-benzothiazin-2-ylidene)propanedioic acid derivatives from 2-(1-bromoalkyl)phenyl isothiocyanates with propanedioic (malonic) acid derivatives, such as propanedinitrile, ethyl cyanoacetates, 3-oxo-3-(pyrrolidin-1-yl)propanenitrile and diethyl propanedioate, has been developed. The reactions are carried out in the presence of two equivalents of sodium hydride at -20 degrees C to give the desired products.

  DOI：

  10.3987/com-12-12584

文献信息

• One-Pot Synthesis of 2-(1,4-Dihydro-2H-3,1-benzothiazin-2-ylidene)propanedioic Acid Derivatives by the Reaction of 2-(1-Bromoalkyl)phenyl Isothiocyanates with Propanedioic Acid Derivatives Using Sodium Hydride
  作者：Kazuhiro Kobayashi、Kosuke Ezaki

  DOI：10.3987/com-12-12584

  日期：——

  An efficient one-pot procedure for the preparation of 2-(1,4-dihydro-2H-3,1-benzothiazin-2-ylidene)propanedioic acid derivatives from 2-(1-bromoalkyl)phenyl isothiocyanates with propanedioic (malonic) acid derivatives, such as propanedinitrile, ethyl cyanoacetates, 3-oxo-3-(pyrrolidin-1-yl)propanenitrile and diethyl propanedioate, has been developed. The reactions are carried out in the presence of two equivalents of sodium hydride at -20 degrees C to give the desired products.