1,3-bis(2-chloro-1-propene-3-ylsulfanyl)propane | 1569090-04-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 1,3-bis(2-chloro-1-propene-3-ylsulfanyl)propane
• 英文别名: 1,3-bis(2-chloroprop-2-en-1-ylsulfanyl)propane；1,3-Bis(2-chloro-prop-2-en-1-ylsulfanyl)propane；2-chloro-3-[3-(2-chloroprop-2-enylsulfanyl)propylsulfanyl]prop-1-ene
• CAS: 1569090-04-5
• 化学式: C₉H₁₄Cl₂S₂
• 分子量: 257.248
• InChiKey: YYHTZXTWRSRJOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,3-二氯丙烯 、 dipotassium propane-1,3-dithiolate 以46%的产率得到2-methyl-6,7-dihydro-5H-1,4-dithiepine
  参考文献：
  名称：

  Domino reactions of alkane dithiolates with 2,3-dichloro-1-propene in hydrazine hydrate – KOH medium

  摘要：

  2,3-Dichloro-1-propene reacts with alkane dithiolates in hydrazine hydrate - KOH medium to produce derivatives of dithiin, dithiepin, chloropropenyl, and allenyl sulfides depending on conditions and dithiolate structure. The formation of the heterocyclic products is a result of possible domino reactions, including a substitution of an allylic chlorine atom, dehydrochlorination, and intramolecular heterocyclization.[GRAPHICS].

  DOI：

  10.1080/17415993.2013.849704

文献信息

• Effect of the chalcogen nature on the reaction of propane-1,3-dichalcogenolates with 2,3-dichloroprop-1-ene
  作者：E. P. Levanova、V. A. Grabel’nykh、V. S. Vakhrina、N. V. Russavskaya、A. I. Albanov、L. V. Klyba、N. A. Korchevin、I. B. Rozentsveig

  DOI：10.1134/s1070428014010023

  日期：2014.1

  The direction of the reaction of propane-1,3-dichalcogenolates with 2,3-dichloroprop-1-ene in the system hydrazine hydrate-KOH depends not only on the conditions but to a greater extent on the chalcogen nature. Dipotassium propane-1,3-dithiolate and propane-1,3-diselenolate give rise to products of substitution of the chlorine atom on the sp (3)-carbon atom, which are capable of undergoing further transformations (domino reaction). Dipotassium propane-1,3-ditellurolate promotes elimination of both chlorine atoms with formation of allene.
• Domino reactions of alkane dithiolates with 2,3-dichloro-1-propene in hydrazine hydrate – KOH medium
  作者：Ekaterina P. Levanova、Valentina A. Grabelnykh、Valentina S. Vahrina、Alexander I. Albanov、Lyudmila V. Klyba、Natalia V. Russavskaya、Nikolai A. Korchevin、Igor B. Rozentsveig

  DOI：10.1080/17415993.2013.849704

  日期：2014.3.4

  2,3-Dichloro-1-propene reacts with alkane dithiolates in hydrazine hydrate - KOH medium to produce derivatives of dithiin, dithiepin, chloropropenyl, and allenyl sulfides depending on conditions and dithiolate structure. The formation of the heterocyclic products is a result of possible domino reactions, including a substitution of an allylic chlorine atom, dehydrochlorination, and intramolecular heterocyclization.[GRAPHICS].