((S)-1-Phenyl-ethyl)-carbamic acid (1S,2R,3S,4R,5S)-3-hydroxy-5-methoxy-2,4-dimethyl-5-phenyl-1-vinyl-pentyl ester | 221098-63-1

• 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,2R,3S,4R,5S)-3-hydroxy-5-methoxy-2,4-dimethyl-5-phenyl-1-vinyl-pentyl ester
• 英文别名: [(3S,4R,5S,6R,7S)-5-hydroxy-7-methoxy-4,6-dimethyl-7-phenylhept-1-en-3-yl] N-[(1S)-1-phenylethyl]carbamate
• CAS: 221098-63-1
• 化学式: C₂₅H₃₃NO₄
• 分子量: 411.541
• InChiKey: DDRCWMSCGSGHGN-NDOOIZCNSA-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：
  0.4
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ((S)-1-Phenyl-ethyl)-carbamic acid (1S,2R,3S,4R,5S)-3-hydroxy-5-methoxy-2,4-dimethyl-5-phenyl-1-vinyl-pentyl ester 在 三氯硅烷 、 三乙胺 作用下， 生成 (3S,4S,5S,6R,7S)-7-Methoxy-4,6-dimethyl-7-phenyl-hept-1-ene-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 在 三氟甲磺酸三甲基硅酯 、 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 ((S)-1-Phenyl-ethyl)-carbamic acid (1S,2R,3S,4R,5S)-3-hydroxy-5-methoxy-2,4-dimethyl-5-phenyl-1-vinyl-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