5-[(4-chlorophenyl)sulfanylmethyl]-3,5-dimethylhept-1-en-6-yn-3-ol | 871329-91-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-[(4-chlorophenyl)sulfanylmethyl]-3,5-dimethylhept-1-en-6-yn-3-ol
• CAS: 871329-91-8
• 化学式: C₁₆H₁₉ClOS
• 分子量: 294.845
• InChiKey: OIFGBUROULUTJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  418.0±45.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-[(4-chlorophenyl)sulfanylmethyl]-3,5-dimethylhept-1-en-6-yn-3-ol 、 alkaline earth salt of/the/ methylsulfuric acid 在 十二/十四烷基二甲基氧化胺 作用下， 以36%的产率得到8-(4-chlorophenylthiomethyl)-6-hydroxy-6,8-dimethylbicyclo[3.3.0]oct-1-en-3-one
  参考文献：
  名称：

  ArS-Mediated Ad _E Reaction of the Cobaltcarbonyl-Complexed Conjugated Enynes

  摘要：

  A novel approach to the synthesis of functionalized enynes is elaborated based on the protocol of the three-component coupling of areanesulfenyl chlorides, dicobalthex-acarbonyl complexes of the conjugated enynes, and nucleophiles of the pi-donor type and a possibility to employ the 1,6-enyne derivatives thus prepared as the substrates for the intramolecular Pauson-Khand cyclization is demonstrated.

  DOI：

  10.1080/10426500590911584
• 作为产物：
  描述：

  4-chloro-benzenesulfenyl chloride 生成 5-[(4-chlorophenyl)sulfanylmethyl]-3,5-dimethylhept-1-en-6-yn-3-ol
  参考文献：
  名称：

  ArS-Mediated Ad _E Reaction of the Cobaltcarbonyl-Complexed Conjugated Enynes

  摘要：

  A novel approach to the synthesis of functionalized enynes is elaborated based on the protocol of the three-component coupling of areanesulfenyl chlorides, dicobalthex-acarbonyl complexes of the conjugated enynes, and nucleophiles of the pi-donor type and a possibility to employ the 1,6-enyne derivatives thus prepared as the substrates for the intramolecular Pauson-Khand cyclization is demonstrated.

  DOI：

  10.1080/10426500590911584