di-t-butyl 2-(2-propenyl)-2-[2-chloro-2-(phenylsulfinyl)ethyl]propanedioate | 193097-49-3

• 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: di-t-butyl 2-(2-propenyl)-2-[2-chloro-2-(phenylsulfinyl)ethyl]propanedioate
• CAS: 193097-49-3
• 化学式: C₂₂H₃₁ClO₅S
• 分子量: 443.004
• InChiKey: UKYPGJCEKZHWQM-UHFFFAOYSA-N

物化性质

• 沸点：
  538.1±50.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.0
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  di-t-butyl 2-(2-propenyl)-2-[2-chloro-2-(phenylsulfinyl)ethyl]propanedioate 在 potassium permanganate 作用下， 以 丙酮 为溶剂， 以57%的产率得到di-t-butyl 2-(2-propenyl)-2-[2-chloro-2-(phenylsulfonyl)ethyl]propanedioate
  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：

  在 N-氯代丁二酰亚胺 、 potassium tert-butylate 作用下， 以 四氯化碳 为溶剂， 反应 25.25h， 生成 di-t-butyl 2-(2-propenyl)-2-[2-chloro-2-(phenylsulfinyl)ethyl]propanedioate
  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