sodium O-(1,1-dimethylpropyl) carbonodithioate | 904669-37-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: sodium O-(1,1-dimethylpropyl) carbonodithioate
• 英文别名: Sodium;2-methylbutan-2-yloxymethanedithioate；sodium;2-methylbutan-2-yloxymethanedithioate
• CAS: 904669-37-0
• 化学式: C₆H₁₁OS₂*Na
• 分子量: 186.275
• InChiKey: HGSKJCJLRXVBKX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二硫化碳 、 2-甲基-2-丁醇 在 sodium 作用下， 以 四氢呋喃 为溶剂， 生成 sodium O-(1,1-dimethylpropyl) carbonodithioate
  参考文献：
  名称：

  UnexpectedRitterReaction During Acid-Promoted 1,3-Dithiol-2-one Formation

  摘要：

  AbstractA series of aryl‐substituted 1,3‐dithiol‐2‐ones was prepared by the BhattacharyaHortmann cyclization method. Unexpectedly, a Ritter reaction occurred during the acid‐catalyzed cyclization at the cyano group of the aryl substituents and 1,3‐dithiol‐2‐ones bearing a carboxy or a carboxamide group could be selectively obtained (see 1 and 2a in Scheme 1). The formation of the acid or the amide functionality was temperature‐dependent so that the one or the other group could be introduced selectively by modifying the reaction temperature.

  DOI：

  10.1002/hlca.201200311
• 作为试剂：
  描述：

  4,4-dichloro-2,6-diphenyl-4,4-dihydropyrane 在 sodium O-(1,1-dimethylpropyl) carbonodithioate 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以50 mg的产率得到4H-吡喃-4-硫酮,2,6-二苯基-
  参考文献：
  名称：

  Unusual Thionation via Fragmentation

  摘要：

  Reaction of 4,4-dichloro-2,6-diphenyl-4,4-dihydropyrane (2) with thiols in the presence of triethylamine gives interesting results. The exclusive formation of 2,6-diphenylpyran-4-thione (3) in the reaction with PhSH through cleavage of C-Ar-S bond is remarkable.

  DOI：

  10.1002/jccs.200500176

文献信息

• Unexpected<i>Ritter</i>Reaction During Acid-Promoted 1,3-Dithiol-2-one Formation
  作者：Frédéric Dumur、Cédric R. Mayer

  DOI：10.1002/hlca.201200311

  日期：2013.5

  AbstractA series of aryl‐substituted 1,3‐dithiol‐2‐ones was prepared by the BhattacharyaHortmann cyclization method. Unexpectedly, a Ritter reaction occurred during the acid‐catalyzed cyclization at the cyano group of the aryl substituents and 1,3‐dithiol‐2‐ones bearing a carboxy or a carboxamide group could be selectively obtained (see 1 and 2a in Scheme 1). The formation of the acid or the amide functionality was temperature‐dependent so that the one or the other group could be introduced selectively by modifying the reaction temperature.