trans-1-bromomethyl-2-(2-bromobutyl)cyclohexane | 137303-32-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: trans-1-bromomethyl-2-(2-bromobutyl)cyclohexane
• CAS: 137303-32-3
• 化学式: C₁₁H₂₀Br₂
• 分子量: 312.088
• InChiKey: FGTCNKLKZSJSID-DIOIDXFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  trans-1-bromomethyl-2-(2-bromobutyl)cyclohexane 在 potassium sulfide 作用下， 以 乙醇 为溶剂， 生成 cis-1-propyl-trans-2-thiahydrindane 、 trans-1-propyl-trans-2-thiahydrindane 、 trans-3-ethyl-trans-2-thiadecalin 、 cis-3-ethyl-trans-2-thiadecalin
  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
• 作为产物：
  描述：

  1-[(1R,2S)-2-(methoxymethyl)cyclohexyl]butan-2-ol 在 氢溴酸 、 三溴化磷 作用下， 以70%的产率得到trans-1-bromomethyl-2-(2-bromobutyl)cyclohexane
  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