(S)-N-acetyl-2,6-dimethyltyrosine | 1333148-31-4

• 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: (S)-N-acetyl-2,6-dimethyltyrosine
• 英文别名: (2S)-2-acetamido-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid
• CAS: 1333148-31-4
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: UQCXPMLJVNKXEH-LBPRGKRZSA-N

物化性质

• 沸点：
  545.2±50.0 °C(Predicted)
• 密度：
  1.233±0.06 g/cm3(Predicted)

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

反应信息

• 作为反应物：
  描述：

  (S)-N-acetyl-2,6-dimethyltyrosine 在 盐酸 、 acylase I from porcine kidney 作用下， 反应 72.0h， 生成 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
• 作为产物：
  描述：

  3,5-二甲基苯酚 在 吡啶 、 盐酸 、 potassium iodate 、 [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF₄ 、 氢气 、 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 、 potassium iodide 、 cobalt(II) chloride 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 60.0 ℃ 、500.01 kPa 条件下， 反应 16.0h， 生成 (S)-N-acetyl-2,6-dimethyltyrosine
  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

• PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES
  申请人：Stealth BioTherapeutics Corp

  公开号：US20170081363A1

  公开（公告）日：2017-03-23

  The present technology provides peptides, methods of generating the peptides, and pharmaceutically acceptable salts of the peptides. In some embodiments, the peptide is 2′6′-Dmt-D-Arg-Phe-Lys-NH 2 or Phe-D-Arg-Phe-Lys-NH 2 .