((S)-1-Phenyl-ethyl)-carbamic acid (1S,2S,4S,5S)-1-ethyl-5-methoxy-2,4-dimethyl-3-oxo-5-phenyl-pentyl ester | 221098-61-9

• 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: ((S)-1-Phenyl-ethyl)-carbamic acid (1S,2S,4S,5S)-1-ethyl-5-methoxy-2,4-dimethyl-3-oxo-5-phenyl-pentyl ester
• 英文别名: [(3S,4S,6S,7S)-7-methoxy-4,6-dimethyl-5-oxo-7-phenylheptan-3-yl] N-[(1S)-1-phenylethyl]carbamate
• CAS: 221098-61-9
• 化学式: C₂₅H₃₃NO₄
• 分子量: 411.541
• InChiKey: WUWMZTWBEVHEDD-IMZMHHPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ((S)-1-Phenyl-ethyl)-carbamic acid (1S,2S,4S,5S)-1-ethyl-5-methoxy-2,4-dimethyl-3-oxo-5-phenyl-pentyl ester 在 三氯硅烷 、 二异丁基氢化铝 、 三乙胺 作用下， 生成 (1S,2R,3S,4S,5S)-1-Methoxy-2,4-dimethyl-1-phenyl-heptane-3,5-diol
  参考文献：
  名称：

  Addition of chiral β-hydroxy (protected) enol silanes to benzaldehyde dimethyl acetal: Access to polypropionate five-carbon stereosequences

  摘要：

  The title enol silanes react with benzaldehyde dimethyl acetal to give dihydroxy (protected) ketones with good to excellent de and enantiocontrol. Further DIBALH reduction affords stereoselectively (de=95%) polypropionate chirons. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02584-2
• 作为产物：
  描述：

  苯甲醛二甲缩醛 、 ((S)-1-Phenyl-ethyl)-carbamic acid (E)-(1S,2S)-1-ethyl-2-methyl-3-trimethylsilanyloxy-pent-3-enyl ester 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以95%的产率得到((S)-1-Phenyl-ethyl)-carbamic acid (1S,2S,4S,5S)-1-ethyl-5-methoxy-2,4-dimethyl-3-oxo-5-phenyl-pentyl ester
  参考文献：
  名称：

  Addition of chiral β-hydroxy (protected) enol silanes to benzaldehyde dimethyl acetal: Access to polypropionate five-carbon stereosequences

  摘要：

  The title enol silanes react with benzaldehyde dimethyl acetal to give dihydroxy (protected) ketones with good to excellent de and enantiocontrol. Further DIBALH reduction affords stereoselectively (de=95%) polypropionate chirons. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02584-2