(1S,3aR,7aR)-1-Phenyl-octahydro-benzo[c]thiophene | 137303-19-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1S,3aR,7aR)-1-Phenyl-octahydro-benzo[c]thiophene
• 英文别名: (1S,3aR,7aR)-1-phenyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene
• CAS: 137303-19-6
• 化学式: C₁₄H₁₈S
• 分子量: 218.363
• InChiKey: RVQGXWUCKKXRJV-BFHYXJOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  [Bromo-((1R,2R)-2-bromomethyl-cyclohexyl)-methyl]-benzene 在 potassium sulfide 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 (1S,3aR,7aR)-1-Phenyl-octahydro-benzo[c]thiophene 、 cis-1-methyl-trans-2-thiahydrindane
  参考文献：
  名称：

  Synthesis of 1-substituted trans-2-thiahydrindanes and 3-substituted trans-2-thiadecalins

  摘要：

  Methods of synthesis of 1-R-trans-2-thiahydrindanes and 3-R-trans-2-thiadecalins from trans-1-methoxymethyl-2-chlorocyclohexane have been developed. The order of the chromatographic elution of the isomeric sulfides formed has been found. The configurations of the compounds have been established by H-1 and C-13 NMR spectroscopy. The characteristics of the intermediate and final compounds are given. The splitting of 1-R-trans-2-oxahydrindanes and 3-R-trans-2-oxadecalins by the PBr3/conc. HBr system has been effected.

  DOI：

  10.1007/bf01172271