(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-phenylsulfanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene | 98204-63-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-phenylsulfanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• CAS: 98204-63-8
• 化学式: C₃₃H₅₀S
• 分子量: 478.826
• InChiKey: HKLIZSSDXUSGHH-VWZBXBHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.39
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  (1S,2S,4S,8R,10R,13R,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[7-oxa-5-thiapentacyclo[11.7.0.02,10.04,8.014,18]icosane-6,1'-cyclohexane] 、 环己-1,3-二烯-5-炔 以86%的产率得到
  参考文献：
  名称：

  NAKAYAMA, JUZO;SUGIURA, HIDETOSHI;SHIOTSUKI, ATSUKO;HOSHINO, MASAMATSU, TETRAHEDRON LETT., 1985, 26, N 18, 2195-2198

  摘要：

  DOI：

文献信息

• Benzyne-induced fragmentation of 1,3-oxathiolanes. A novel method for deprotection of carbonyl groups, preparation of phenyl vinyl sulfides, and 1,2-carbonyl transposition
  作者：Juzo Nakayama、Hidetoshi Sugiura、Atsuko Shiotsuki、Masamatsu Hoshino

  DOI：10.1016/s0040-4039(00)98960-3

  日期：1985.1

  A variety of 1,3-oxathiolanes undergo a benzyne-induced fragmentation leading to phenyl vinyl sulfides and carbonyl compounds. The reaction developed here provides a novel method for deprotection of carbonyl compounds from 1,3-oxathiolanes, preparation of phenyl vinyl sulfides, and 1,2-carbonyl transposition.

  各种1,3-氧杂硫杂环戊烷会受到苯并炔诱导的断裂，从而生成苯基乙烯基硫醚和羰基化合物。此处开发的反应提供了一种从1,3-氧杂硫杂环戊烷中脱除羰基化合物，制备苯基乙烯基硫醚和1,2-羰基转座的新方法。