Dithiocarbonic acid S-{1-(tert-butoxycarbonylamino-methyl)-2-[2-(4-tert-butyl-phenyl)-4-oxo-cyclobutyl]-ethyl} ester O-(2,2-dimethyl-propyl) ester | 627900-96-3

• 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: Dithiocarbonic acid S-{1-(tert-butoxycarbonylamino-methyl)-2-[2-(4-tert-butyl-phenyl)-4-oxo-cyclobutyl]-ethyl} ester O-(2,2-dimethyl-propyl) ester
• CAS: 627900-96-3
• 化学式: C₂₈H₄₃NO₄S₂
• 分子量: 521.786
• InChiKey: ZBRPHJANRSRRDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Dithiocarbonic acid S-{1-(tert-butoxycarbonylamino-methyl)-2-[2-(4-tert-butyl-phenyl)-4-oxo-cyclobutyl]-ethyl} ester O-(2,2-dimethyl-propyl) ester 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 环己烷 、 甲苯 为溶剂， 生成 {3-[2-(4-tert-butyl-phenyl)-4-oxo-cyclobutyl]-propyl}-carbamic acid tert-butyl ester 、 {3-[2-(4-tert-Butyl-phenyl)-4-oxo-cyclobutyl]-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Intermolecular additions of cyclobutanone derived radicals. A convergent, highly efficient access to polycyclic cyclobutane containing structures

  摘要：

  alpha-Xanthyl cyclobutanones undergo intermolecular radical additions to olefins bearing various functional groups. Adducts containing a phosphonate can be made to cyclise by an internal Wittig Horner-Emmons reaction to give cyclohexene and cycloheptene rings fused to the cyclobutane. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.042
• 作为产物：
  描述：

  2-Bromo-3-(4-tert-butyl-phenyl)-cyclobutanone 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 、 丙酮 为溶剂， 反应 5.0h， 生成 Dithiocarbonic acid S-{1-(tert-butoxycarbonylamino-methyl)-2-[2-(4-tert-butyl-phenyl)-4-oxo-cyclobutyl]-ethyl} ester O-(2,2-dimethyl-propyl) ester
  参考文献：
  名称：

  Intermolecular additions of cyclobutanone derived radicals. A convergent, highly efficient access to polycyclic cyclobutane containing structures

  摘要：

  alpha-Xanthyl cyclobutanones undergo intermolecular radical additions to olefins bearing various functional groups. Adducts containing a phosphonate can be made to cyclise by an internal Wittig Horner-Emmons reaction to give cyclohexene and cycloheptene rings fused to the cyclobutane. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.042