1-(S)-phenylethyl carbamic acid (R)-cyanophenylmethyl ester | 1201810-75-4

• 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: 1-(S)-phenylethyl carbamic acid (R)-cyanophenylmethyl ester
• CAS: 1201810-75-4
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: BTVIWJNWZSZTIF-BBRMVZONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  62.12
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (R)-(+)-苯乙醇腈 、 (S)-(-)-1-苯乙基异氰酸酯 在 copper(I) bromide dimethylsulfide complex 作用下， 以 四氢呋喃 为溶剂， 以555.5 mg的产率得到1-(S)-phenylethyl carbamic acid (R)-cyanophenylmethyl ester
  参考文献：
  名称：

  Straightforward Enzymatic Process Based on HNL CLEA-Catalysis towards Cyanohydrin Derivatives

  摘要：

  An efficient enzymatic process based on HNL-CLEA catalysis in buffer-saturated organic media was developed to limit the amount of overall waste generated and the number of safety issues incurred by handling HCN-containing waste. Starting front benzaldehyde as a model substrate, (R)- and (S)-mandelonitrile can be obtained under these reaction conditions without in extraction step being required. The crude cyanohydrin intermediate was sufficiently pure to be used as starting material in a second step towards a range of derivatives.

  DOI：

  10.1021/op900207n