Hept-5-en-1-yl methanesulfonate | 125115-42-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Hept-5-en-1-yl methanesulfonate
• 英文别名: [(E)-hept-5-enyl] methanesulfonate
• CAS: 125115-42-6
• 化学式: C₈H₁₆O₃S
• 分子量: 192.279
• InChiKey: WYVHKIYMSSMELJ-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Hept-5-en-1-yl methanesulfonate 在 N-氯代丁二酰亚胺 、 sodium hydride 作用下， 以 四氯化碳 、 乙醇 为溶剂， 反应 78.5h， 生成 trans-7,7-bis(phenylthio)-2-heptene
  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：

  trans-5-hepten-1-ol 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以543 mg的产率得到Hept-5-en-1-yl methanesulfonate
  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