[(1R,2S)-2-Bromo-1-(tert-butyl-dimethyl-silanyloxymethyl)-2-cyclohexyl-ethyl]-carbamic acid tert-butyl ester | 207122-25-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [(1R,2S)-2-Bromo-1-(tert-butyl-dimethyl-silanyloxymethyl)-2-cyclohexyl-ethyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(1S,2R)-1-bromo-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-yl]carbamate
• CAS: 207122-25-6
• 化学式: C₂₀H₄₀BrNO₃Si
• 分子量: 450.532
• InChiKey: GBUXIJMPKITSFO-SJORKVTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.25
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(1R,2S)-2-Bromo-1-(tert-butyl-dimethyl-silanyloxymethyl)-2-cyclohexyl-ethyl]-carbamic acid tert-butyl ester 在 三(三甲基硅基)硅烷 作用下， 生成 [(S)-2-(tert-Butyl-dimethyl-silanyloxy)-1-cyclohexylmethyl-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Highly regioselective opening of optically active N-Boc-2,3-aziridino alcohol derivatives with metal halides

  摘要：

  Chiral 3-substituted N-Boc-2,3-aziridino alcohols are opened in a regio and stereoselective fashion by MgBr2; the obtained 3-bromo derivatives can be reduced and deprotected under mild conditions to the corresponding 1,2-amino alcohols. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00204-4
• 作为产物：
  描述：

  (2S,3S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-3-cyclohexyl-aziridine-1-carboxylic acid tert-butyl ester 在 magnesium bromide 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 [(1R,2S)-2-Bromo-1-(tert-butyl-dimethyl-silanyloxymethyl)-2-cyclohexyl-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Highly regioselective opening of optically active N-Boc-2,3-aziridino alcohol derivatives with metal halides

  摘要：

  Chiral 3-substituted N-Boc-2,3-aziridino alcohols are opened in a regio and stereoselective fashion by MgBr2; the obtained 3-bromo derivatives can be reduced and deprotected under mild conditions to the corresponding 1,2-amino alcohols. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00204-4