(2-chloropropyl) (pentachlorobuta-1,3-dien-1-yl) sulfide | 1169941-62-1

• 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: (2-chloropropyl) (pentachlorobuta-1,3-dien-1-yl) sulfide
• CAS: 1169941-62-1
• 化学式: C₇H₆Cl₆S
• 分子量: 334.909
• InChiKey: RVPFYIJZXWFJMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-癸硫醇 、 (2-chloropropyl) (pentachlorobuta-1,3-dien-1-yl) sulfide 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以48%的产率得到1-[2-(pentachlorobuta-1,3-dien-1-ylsulfanyl)propylsulfanyl]decane
  参考文献：
  名称：

  New Perchlorobutadienyl Sulfanes

  摘要：

  Hexachlorobutadiene 1 reacts with 3-mercapto-1-hexanol in water-ethanol mixture in the presence of sodium hydroxide to give the new monosubstituted thioether 3-(perchlorobuta-1,3-dienyl-thio)-hexan-1-ol 3a and the disubstituted thioether 3,3' -(perchlorobuta-1,3-diene-1,4-diyl) bis(sulfane-diyl)-dihexan-1-ol 4a. 1-Chlorohexan-3-yl-pentachlorobutadienyl-sulfide 5a, 2-chloroethyl-penta-chlorobutadienyl-sulfide 5b, 2-chloropropyl-pentachlorobutadienyl-sulfide 5c and 1,2,3,4-tetra-chlorobuta-1,4-bis(2-chloroethylsulfanyl)-buta-1,3-diene 6b were obtained from the reaction of 3a-c and 4b with SOCl2 in pyridine. The derivatives 8b-k and 9a were synthesized from the reaction of componds 5b and 5c in water-ethanol mixture in the presence of sodium hydroxide with the corresponding thiol, respectively.

  DOI：

  10.1080/10426500802073175
• 作为产物：
  描述：

  在 吡啶 、 氯化亚砜 作用下， 反应 2.0h， 以63%的产率得到(2-chloropropyl) (pentachlorobuta-1,3-dien-1-yl) sulfide
  参考文献：
  名称：

  New Perchlorobutadienyl Sulfanes

  摘要：

  Hexachlorobutadiene 1 reacts with 3-mercapto-1-hexanol in water-ethanol mixture in the presence of sodium hydroxide to give the new monosubstituted thioether 3-(perchlorobuta-1,3-dienyl-thio)-hexan-1-ol 3a and the disubstituted thioether 3,3' -(perchlorobuta-1,3-diene-1,4-diyl) bis(sulfane-diyl)-dihexan-1-ol 4a. 1-Chlorohexan-3-yl-pentachlorobutadienyl-sulfide 5a, 2-chloroethyl-penta-chlorobutadienyl-sulfide 5b, 2-chloropropyl-pentachlorobutadienyl-sulfide 5c and 1,2,3,4-tetra-chlorobuta-1,4-bis(2-chloroethylsulfanyl)-buta-1,3-diene 6b were obtained from the reaction of 3a-c and 4b with SOCl2 in pyridine. The derivatives 8b-k and 9a were synthesized from the reaction of componds 5b and 5c in water-ethanol mixture in the presence of sodium hydroxide with the corresponding thiol, respectively.

  DOI：

  10.1080/10426500802073175