Methanesulfonic acid (1R,3R)-3-methyl-cyclohexyl ester

• 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: Methanesulfonic acid (1R,3R)-3-methyl-cyclohexyl ester
• 英文别名: [(1R,3R)-3-methylcyclohexyl] methanesulfonate
• 化学式: C₈H₁₆O₃S
• 分子量: 192.279
• InChiKey: DJEAINHKOPMWTP-HTQZYQBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  Methanesulfonic acid (1R,3R)-3-methyl-cyclohexyl ester 在 间氯过氧苯甲酸 作用下， 以 乙醇 为溶剂， 生成 cis-3-methylcyclohexyl phenyl sulfone
  参考文献：
  名称：

  Generation and intramolecular cyclization of α-sulfinyl and α-sulfonyl radicals

  摘要：

  alpha-Phenylsulfinyl and alpha-Phenylsulfonyl radicals are generated by the reactions of alpha-chlorosulfoxides and alpha-chlorosulfones with tributyltin hydride, respectively. High reaction concentration (0.2 M) is required to ensure efficient generations of these radicals. The 5-exo-type intramolecular cyclizations of these radicals are studied. The cyclization is most successful when the olefin is terminally substituted with an ester group. The sulfinyl group only induces mild diastereoselectivity on the cyclization. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00472-9
• 作为产物：
  描述：

  rac-trans-3-methylcyclohexanol 、 甲基磺酰氯 生成 Methanesulfonic acid (1R,3R)-3-methyl-cyclohexyl ester
  参考文献：
  名称：

  Optical rotatory dispersion studies. 133. Deuterium octant contributions in cyclohexanones

  摘要：

  DOI：

  10.1021/jo01314a001

文献信息

• Optical rotatory dispersion studies. 133. Deuterium octant contributions in cyclohexanones
  作者：P. Sundararaman、Gunter Barth、Carl Djerassi

  DOI：10.1021/jo01314a001

  日期：1980.12
• Generation and intramolecular cyclization of α-sulfinyl and α-sulfonyl radicals
  作者：Bor-Wen Ke、Chao-Hsiung Lin、Yeun-Min Tsai

  DOI：10.1016/s0040-4020(97)00472-9

  日期：1997.6

  alpha-Phenylsulfinyl and alpha-Phenylsulfonyl radicals are generated by the reactions of alpha-chlorosulfoxides and alpha-chlorosulfones with tributyltin hydride, respectively. High reaction concentration (0.2 M) is required to ensure efficient generations of these radicals. The 5-exo-type intramolecular cyclizations of these radicals are studied. The cyclization is most successful when the olefin is terminally substituted with an ester group. The sulfinyl group only induces mild diastereoselectivity on the cyclization. (C) 1997 Elsevier Science Ltd.