2-乙酰氨基-3-(4-羟基-2,6-二甲基苯基)丙酸 | 1255098-61-3

• 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
• 中文名称: 2-乙酰氨基-3-(4-羟基-2,6-二甲基苯基)丙酸
• 英文名称: N-acetyl-2,6-dimethyl-DL-tyrosine
• 英文别名: 2-acetamido-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid
• CAS: 1255098-61-3
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: UQCXPMLJVNKXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2914190090

反应信息

• 作为反应物：
  描述：

  2-乙酰氨基-3-(4-羟基-2,6-二甲基苯基)丙酸 在 acylase I from porcine kidney 、 水 、 cobalt(II) chloride 、 sodium hydroxide 作用下， 反应 96.17h， 生成 N-Boc-2,6-二甲基-L-酪氨酸
  参考文献：
  名称：

  Development of an Asymmetric Hydrogenation Route to (S)-N-Boc-2,6-dimethyltyrosine

  摘要：

  An improved, simpler and potentially more economical route to (S)-N-Boc-2,6-dimethyltyrosine 1, based on a previously published route, is presented. Key modifications were to prepare the dehydroaminoacid hydrogenation substrate 6 in a one-pot process directly from serine methyl ester and 4-iodo-3,5-dimethylphenyl acetate 4 and to identify a significantly more active asymmetric hydrogenation catalyst that allowed a 5-fold reduction in catalyst loading.

  DOI：

  10.1021/op200065p

文献信息

• Development of an Asymmetric Hydrogenation Route to (<i>S</i>)-<i>N</i>-Boc-2,6-dimethyltyrosine
  作者：Céline F. B. Praquin、Pieter D. de Koning、Philip J. Peach、Roger M. Howard、Sarah L. Spencer

  DOI：10.1021/op200065p

  日期：2011.9.16

  An improved, simpler and potentially more economical route to (S)-N-Boc-2,6-dimethyltyrosine 1, based on a previously published route, is presented. Key modifications were to prepare the dehydroaminoacid hydrogenation substrate 6 in a one-pot process directly from serine methyl ester and 4-iodo-3,5-dimethylphenyl acetate 4 and to identify a significantly more active asymmetric hydrogenation catalyst that allowed a 5-fold reduction in catalyst loading.