2-chloromethyl-1-chloro-7-octene | 208837-87-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 2-chloromethyl-1-chloro-7-octene
• 英文别名: 8-Chloro-7-(chloromethyl)-1-octene；8-chloro-7-(chloromethyl)oct-1-ene
• CAS: 208837-87-0
• 化学式: C₉H₁₆Cl₂
• 分子量: 195.132
• InChiKey: IYWRIHGEPRCQMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  254.2±33.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  11.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  2-chloromethyl-1-chloro-7-octene 在 dihydrogen hexachloroplatinate 、 正丁基锂 作用下， 以 二氯甲烷 为溶剂， 反应 72.5h， 生成 1-diphenylphosphanyl-2-diphenylphosphanylmethyl-8-(trimethoxysilyl)octane
  参考文献：
  名称：

  Supported organometallic complexes XVI

  摘要：

  The dppp ligand 4(T-0) being provided with a T-silylfunctionalized (CH2)(6) spacer in the symmetric position of the C3 bridge is obtained by a simple three step reaction starting with 2-hydroxymethyl-1-hydroxy-7-octene (1) (Scheme 1). 1 is chlorinated to the dichloride 2 which can be hydrosilylated with HSi(OMe)(3) to give 3(T-0). Finally both chlorine atoms in 3(T-0) are exchanged by PPh2. Treatment of (COD)PdCl2 with 4(T-0) results in the formation of the T-silylfunctionalized palladium complex 5(T-0). (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00374-x
• 作为产物：
  描述：

  2-(己-5-烯基)丙烷-1,3-二醇 在 氯化亚砜 作用下， 以65.1%的产率得到2-chloromethyl-1-chloro-7-octene
  参考文献：
  名称：

  Supported organometallic complexes XVI

  摘要：

  The dppp ligand 4(T-0) being provided with a T-silylfunctionalized (CH2)(6) spacer in the symmetric position of the C3 bridge is obtained by a simple three step reaction starting with 2-hydroxymethyl-1-hydroxy-7-octene (1) (Scheme 1). 1 is chlorinated to the dichloride 2 which can be hydrosilylated with HSi(OMe)(3) to give 3(T-0). Finally both chlorine atoms in 3(T-0) are exchanged by PPh2. Treatment of (COD)PdCl2 with 4(T-0) results in the formation of the T-silylfunctionalized palladium complex 5(T-0). (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00374-x