(1R)-1-(3-ethoxy-4-methoxyphenyl)ethan-1-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (1R)-1-(3-ethoxy-4-methoxyphenyl)ethan-1-amine
• 英文别名: (1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.26
• InChiKey: GFWQXQKBQFMYSD-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(3-乙氧基-4-甲氧基苯基)乙酮 在 (S)-(-)- α-甲基苄胺 、 ATGAACAAACCGCAAAGCTGGGAAGCCCGGGCCGAGACCTATTCGCTCTATGGTTTCACCGACATGCCTTCGCTGCATCAGCGCGGCACGGTCGTCGTGACCCATGGCGAGGGACCCTATATCGTCGATGTGAATGGCCGGCGTTATCTGGACGCCAACTCGGGCCTGTCGAACATGGTCGCGGGCTTTGACCACAAGGGGCTGATCGACGCCGCCAAGGCCCAATACGAGCGTTTTCCCGGTTATCACGCCTTTTTCGGCCGCATGTCCGATCAGACGGTAATGCTGTCGGAAAAGCTGGTCGAGGTGTCGCCCTTTGATTCGGGCCGGGTGTTCTATACAAACTCGGGGTCCGAGGCGAATGACACCATGGTCAAGATGCTATGGTTCCTGCATGCAGCCGAGGGCAAACCGCAAAAGCGCAAGATCCTGACCCGCTGGAACGCCTATCACGGCGTGACCGCCGTTTCGGCCAGCATGACCGGCAAGCCCTATAATTCGGTCTTTGGCCTGCCGCTGCCGGGCTTTGTGCATCTGACCTGCCCGCATTACTGGCGCTATGGCGAAGAGGGCGAAACCGAAGAGCAGTTCGTCGCCCGCCTCGCCCGCGAGCTGGAGGAAACGATCCAGCGCGAGGGCGCCGACACCATCGCCGGTTTCTTTGCCGAACCGGTGATGGGCGCGGGCGGCGTGATTCCCCCGGCCAAGGGGTATTTCCAGGCGATCCTGCCAATCCTGCGCAAATATGACATCCCGGTCATCTCGGACGAGGTGATCTGCGGTTTCGGACGCACCGGTAACACCTGGGGCTGCGTGACCTATGACTTTACACCCGATGCAATCATCTCGTCCAAGAATCTTACAGCGGGCTTTTTCCCCATGGGGGCGGTGATCCTTGGCCCGGAACTTTCCAAACGGCTGGAAACCGCAATCGAGGCGATCGAGGAATTCCCCCATGGCTTTACCGCCTCGGGCCATCCGGTCGGCTGTGCTATTGCGC 作用下， 以 aq. phosphate buffer 、 二甲基亚砜 为溶剂， 以25%的产率得到(1R)-1-(3-ethoxy-4-methoxyphenyl)ethan-1-amine
  参考文献：
  名称：

  10.1002/cjoc.202400351

  摘要：

  Comprehensive SummaryThe implementation of divergent protein engineering on the natural transaminase Vf‐ω‐TA led to the development of two effective mutants (M2 and M8), enabling the enzymatic synthesis of chiral amine precursors of Rivastigmine and Apremilast, respectively. The evolution of the enzymes was guided by crystal structures and a focused mutagenesis strategy, allowing them to effectively address the challenging ketone substrates with significant steric hindrance. Under the optimized reaction parameters, transamination proceeded smoothly in good conversions and with perfect stereochemical control (> 99% ee). These processes utilize inexpensive α‐methylbenzylamine as an amine donor and avoid the continuous acetone removal and costly LDH/GDH/NADH systems.

  DOI：

  10.1002/cjoc.202400351

文献信息

• ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES
  申请人：Man Hon-Wah

  公开号：US20140194485A1

  公开（公告）日：2014-07-10

  Provided herein are isoindole derivatives, which is enriched with isotopes such as deuterium. Pharmaceutical compositions comprising the isotopes-enriched compounds, and methods of using such compounds are also provided.

  本文提供了含有氘等同位素的异吲哚衍生物。还提供了含有同位素富集化合物的制药组合物，以及使用这些化合物的方法。
• US9045417B2
  申请人：——

  公开号：US9045417B2

  公开（公告）日：2015-06-02
• 10.1002/cjoc.202400351
  作者：Tang, Langyu、Yang, Xinjie、Sun, Ningning、Wu, Guojiao、Wu, Yuzhou、Zhong, Fangrui

  DOI：10.1002/cjoc.202400351

  日期：——

  Comprehensive SummaryThe implementation of divergent protein engineering on the natural transaminase Vf‐ω‐TA led to the development of two effective mutants (M2 and M8), enabling the enzymatic synthesis of chiral amine precursors of Rivastigmine and Apremilast, respectively. The evolution of the enzymes was guided by crystal structures and a focused mutagenesis strategy, allowing them to effectively address the challenging ketone substrates with significant steric hindrance. Under the optimized reaction parameters, transamination proceeded smoothly in good conversions and with perfect stereochemical control (> 99% ee). These processes utilize inexpensive α‐methylbenzylamine as an amine donor and avoid the continuous acetone removal and costly LDH/GDH/NADH systems.