Phenyl-carbamic acid (S)-3-((S)-3,3-dimethyl-oxiranyl)-1-methyl-propyl ester | 144460-95-7

• 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: Phenyl-carbamic acid (S)-3-((S)-3,3-dimethyl-oxiranyl)-1-methyl-propyl ester
• 英文别名: [(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl] N-phenylcarbamate
• CAS: 144460-95-7
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: JRYBJQVRDJJZQR-AAEUAGOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Phenyl-carbamic acid (S)-3-((S)-3,3-dimethyl-oxiranyl)-1-methyl-propyl ester 在 sodium hydroxide 作用下， 反应 12.0h， 以35%的产率得到(2R,5S)-2-(1-hydroxy-1-methylethyl)-5-methyltetrahydrofuran
  参考文献：
  名称：

  Synthesis of optically pure pityol - a pheromone of the bark beetle Pityophthorus pityographus - using a chemoenzymatic route.

  摘要：

  A four step synthesis of (2R,5S)-pityol. the pheromone of Pityophthorus pityographus, is described using in particular two highly stereoselective microbiologically mediated reactions.

  DOI：

  10.1016/s0040-4039(00)79143-x
• 作为产物：
  描述：

  (S)-(+)-6-甲基-5-庚烯-2-醇 以 正己烷 为溶剂， 生成 Phenyl-carbamic acid (S)-3-((S)-3,3-dimethyl-oxiranyl)-1-methyl-propyl ester
  参考文献：
  名称：

  Synthesis of optically pure pityol - a pheromone of the bark beetle Pityophthorus pityographus - using a chemoenzymatic route.

  摘要：

  A four step synthesis of (2R,5S)-pityol. the pheromone of Pityophthorus pityographus, is described using in particular two highly stereoselective microbiologically mediated reactions.

  DOI：

  10.1016/s0040-4039(00)79143-x

文献信息

• Synthesis of optically pure pityol - a pheromone of the bark beetle Pityophthorus pityographus - using a chemoenzymatic route.
  作者：A. Archelas、R. Furstoss

  DOI：10.1016/s0040-4039(00)79143-x

  日期：1992.9

  A four step synthesis of (2R,5S)-pityol. the pheromone of Pityophthorus pityographus, is described using in particular two highly stereoselective microbiologically mediated reactions.