2-Acetamido-3-(2-fluorophenyl)prop-2-enoic acid | 944655-93-0

• 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-(2-fluorophenyl)prop-2-enoic acid
• CAS: 944655-93-0
• 化学式: C₁₁H₁₀FNO₃
• 分子量: 223.204
• InChiKey: SZSLBCDFYGKRMM-UHFFFAOYSA-N

物化性质

• 沸点：
  452.5±45.0 °C(Predicted)
• 密度：
  1.328±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Acetamido-3-(2-fluorophenyl)prop-2-enoic acid 在 盐酸 、 [(S)-BINAPRUCL苯]CL 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 20.0~100.0 ℃ 、500.01 kPa 条件下， 反应 18.0h， 生成 L-2-氟苯丙氨酸
  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-(2-fluorophenyl)methylene-2-methyl-5(4H)-oxazolone 以 水 、 丙酮 为溶剂， 反应 6.0h， 生成 2-Acetamido-3-(2-fluorophenyl)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

• 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.]