[1-((1S,2S,5R)-2-Isopropyl-5-methyl-cyclohexylsulfanyl)-6-methyl-hept-5-enylsulfanyl]-benzene | 189208-72-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [1-((1S,2S,5R)-2-Isopropyl-5-methyl-cyclohexylsulfanyl)-6-methyl-hept-5-enylsulfanyl]-benzene
• CAS: 189208-72-8
• 化学式: C₂₄H₃₈S₂
• 分子量: 390.698
• InChiKey: SERDUQUILOEHPG-JDMZLTFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.44
• 重原子数：
  26.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [1-((1S,2S,5R)-2-Isopropyl-5-methyl-cyclohexylsulfanyl)-6-methyl-hept-5-enylsulfanyl]-benzene 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 反应 8.0h， 生成 (1S,2S,4R)-1-Isopropyl-4-methyl-2-(6-methyl-hept-5-enylsulfanyl)-cyclohexane 、 (1S,2S,4R)-1-Isopropyl-2-((1R,2S)-2-isopropyl-cyclopentylsulfanyl)-4-methyl-cyclohexane 、 (1S,2S,4R)-1-Isopropyl-2-((1S,2R)-2-isopropyl-cyclopentylsulfanyl)-4-methyl-cyclohexane 、 (1S,2S,4R)-1-Isopropyl-2-((1S,2S)-2-isopropyl-cyclopentylsulfanyl)-4-methyl-cyclohexane
  参考文献：
  名称：

  Generation and intramolecular cyclization of α-phenylsulfenyl and α-alkylsulfenyl radicals

  摘要：

  alpha-Phenylsulfenyl radicals are generated by the reaction of diphenyl dithioacetals or phenyl alpha-chlorosulfides with tributyltin hydride. Alkyl phenyl dithioacetals react selectively with tributyltin hydride to give alpha-alkylsulfenyl radicals. 5-Exo-type of intramolecular cyclizations of these radicals are studied. The cyclization is most successful when the olefin is terminally substituted with an ester group. The cis/trans ratio of the cyclized product varies according to the reaction rates. With a faster cyclization, cis-isomer is the major product. A slower cyclization gives more trans-product. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00156-7
• 作为产物：
  描述：

  (1S,2S,5R)-(+)-neomenthyl thiol 在 六甲基磷酰三胺 、 正丁基锂 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 [1-((1S,2S,5R)-2-Isopropyl-5-methyl-cyclohexylsulfanyl)-6-methyl-hept-5-enylsulfanyl]-benzene
  参考文献：
  名称：

  Generation and intramolecular cyclization of α-phenylsulfenyl and α-alkylsulfenyl radicals

  摘要：

  alpha-Phenylsulfenyl radicals are generated by the reaction of diphenyl dithioacetals or phenyl alpha-chlorosulfides with tributyltin hydride. Alkyl phenyl dithioacetals react selectively with tributyltin hydride to give alpha-alkylsulfenyl radicals. 5-Exo-type of intramolecular cyclizations of these radicals are studied. The cyclization is most successful when the olefin is terminally substituted with an ester group. The cis/trans ratio of the cyclized product varies according to the reaction rates. With a faster cyclization, cis-isomer is the major product. A slower cyclization gives more trans-product. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00156-7