(2S)-2-phenyl-2-propanamidoacetic acid | 1260102-61-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-phenyl-2-propanamidoacetic acid
• 英文别名: (2S)-2-phenyl-2-(propanoylamino)acetic acid
• CAS: 1260102-61-1
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: HVTUONCHNDNNHF-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-丙酰-DL-苯基甘氨酸 在 苯基甘氨酸甲酯 、 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 (2R)-2-phenyl-2-(propanoylamino)acetic acid 、 (2S)-2-phenyl-2-propanamidoacetic acid
  参考文献：
  名称：

  The influence of molecular structure and crystallization time on the efficiency of diastereoisomeric salt forming resolutions

  摘要：

  Reciprocal resolutions between compounds (racemates and enantiomers) with similar structures have been examined. Amongst structurally similar compounds (so called relative structures) several N-acyl amino acids and amino acid esters were investigated. A part of the resolving agent or the racemic compound could be replaced by an achiral compound with a relative structure and an additive could occasionally improve significantly the efficiency of the resolution. Both the kinetic and the thermodynamic controls were observed as governing factors of the reciprocal resolutions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.09.005

文献信息

• [EN] SULFONAMIDES<br/>[FR] SULFONAMIDES
  申请人：MERCK SERONO SA

  公开号：WO2009124962A2

  公开（公告）日：2009-10-15

  The invention relates to compounds of formula (I) wherein R1, R2, R4, Ra, Rb, Rc, Re, A*, W1, W2 and W3 are as defined in claim 1, for the treatment of CXCR3 related diseases.
• The influence of molecular structure and crystallization time on the efficiency of diastereoisomeric salt forming resolutions
  作者：Emese Pálovics、József Schindler、Ferenc Faigl、Elemér Fogassy

  DOI：10.1016/j.tetasy.2010.09.005

  日期：2010.10

  Reciprocal resolutions between compounds (racemates and enantiomers) with similar structures have been examined. Amongst structurally similar compounds (so called relative structures) several N-acyl amino acids and amino acid esters were investigated. A part of the resolving agent or the racemic compound could be replaced by an achiral compound with a relative structure and an additive could occasionally improve significantly the efficiency of the resolution. Both the kinetic and the thermodynamic controls were observed as governing factors of the reciprocal resolutions. (C) 2010 Elsevier Ltd. All rights reserved.