2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoic Acid | 75649-49-9

• 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: 2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoic Acid
• CAS: 75649-49-9
• 化学式: C₁₃H₁₅NO₅
• mdl: MFCD07431801
• 分子量: 265.266
• InChiKey: XKBWCZHRAGGSAH-UHFFFAOYSA-N

物化性质

• 熔点：
  205-206 °C
• 沸点：
  517.8±50.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoic Acid 在 [(S)-BINAPRUCL苯]CL 、 氢气 作用下， 以 甲醇 为溶剂， 20.0~50.0 ℃ 、500.01 kPa 条件下， 反应 12.0h， 以77.5%的产率得到
  参考文献：
  名称：

  Asymmetric Synthesis of Unnatural Amino Acids and Tamsulosin Chiral Intermediate

  摘要：

  An efficient and enantioselective hydrogenation of N-acetylamino phenyl acrylic acids was successfully developed by using ruthenium catalyst. This methodology is important in the field of pharmaceuticals and provides a new process for the preparation of unnatural amino acids and tamsulosin chiral intermediate. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource: Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2012.748075
• 作为产物：
  描述：

  4-(3,4-dimethoxybenzylidene)-2-methyloxazol-5(4H)-one 以 水 、 丙酮 为溶剂， 反应 6.0h， 生成 2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoic Acid
  参考文献：
  名称：

  Asymmetric Synthesis of Unnatural Amino Acids and Tamsulosin Chiral Intermediate

  摘要：

  An efficient and enantioselective hydrogenation of N-acetylamino phenyl acrylic acids was successfully developed by using ruthenium catalyst. This methodology is important in the field of pharmaceuticals and provides a new process for the preparation of unnatural amino acids and tamsulosin chiral intermediate. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource: Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2012.748075

文献信息

• Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors
  申请人：Occidental Chemical Corporation

  公开号：US04912221A1

  公开（公告）日：1990-03-27

  The instant invention relates to optically pure, L-(S)forms of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid compounds and their method of preparation from optionally pure L-phenylalanine precursor compounds and their preparation utilizing novel in situ cationic catalyst systems.

  本发明涉及光学纯的1,2,3,4-四氢异喹啉-3-羧酸化合物的L-(S)型及其制备方法，该方法是利用可选纯的L-苯丙氨酸前体化合物，并利用新颖的原位阳离子催化剂体系进行制备。
• Asymmetric Synthesis of Unnatural Amino Acids and Tamsulosin Chiral Intermediate
  作者：Veera Reddy Arava、Srinivasulu Reddy Amasa、Bharat Kumar Goud Bhatthula、Laxmi Srinivas Kompella、Venkata Prasad Matta、M. C. S. Subha

  DOI：10.1080/00397911.2012.748075

  日期：2013.11.2

  An efficient and enantioselective hydrogenation of N-acetylamino phenyl acrylic acids was successfully developed by using ruthenium catalyst. This methodology is important in the field of pharmaceuticals and provides a new process for the preparation of unnatural amino acids and tamsulosin chiral intermediate. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource: Full experimental and spectral details.]