methyl 4-amino-4-phenylbutanoate | 756419-35-9

• 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: methyl 4-amino-4-phenylbutanoate
• 英文别名: methyl (4S)-4-amino-4-phenylbutanoate
• CAS: 756419-35-9
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: RYSSAIDSNHUHBF-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-amino-4-phenylbutanoate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以98%的产率得到5-phenylpyrrolidin-2-one
  参考文献：
  名称：

  Tandem Ring-Opening Decarboxylation of Cyclopropane Hemimalonates with Sodium Azide: A Short Route to γ-Aminobutyric Acid Esters

  摘要：

  Cyclopropane hemimalonates, when treated with sodium azide, undergo a tandem ring-opening decarboxylation to produce gamma-azidobutyric acids in good yields. These adducts were hydrogenated to form gamma-aminobutyric acid (GABA) methyl esters.

  DOI：

  10.1021/jo3010606
• 作为产物：
  描述：

  methyl 4-azido-4-phenylbutanoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 methyl 4-amino-4-phenylbutanoate
  参考文献：
  名称：

  Tandem Ring-Opening Decarboxylation of Cyclopropane Hemimalonates with Sodium Azide: A Short Route to γ-Aminobutyric Acid Esters

  摘要：

  Cyclopropane hemimalonates, when treated with sodium azide, undergo a tandem ring-opening decarboxylation to produce gamma-azidobutyric acids in good yields. These adducts were hydrogenated to form gamma-aminobutyric acid (GABA) methyl esters.

  DOI：

  10.1021/jo3010606

文献信息

• AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS
  申请人：TEXAS HEART INSTITUTE

  公开号：US20190210992A1

  公开（公告）日：2019-07-11

  A method of enhancing binding of cells to an integrin-binding ligand comprises treating integrin-expressing cells in vitro with an agonist of integrin, wherein the integrin is selected from the group consisting of α4fβ1, α5β1, α4β7, αvβ3 and αLβ2, and contacting the treated cells with an integrin-binding ligand; integrin agonist compounds having the general formula I; methods of treating integrin-expressing cells with such agonists to enhance binding; and therapeutic methods comprising administering agonist-treated cells or agonist compounds to a mammal.
• Tandem Ring-Opening Decarboxylation of Cyclopropane Hemimalonates with Sodium Azide: A Short Route to γ-Aminobutyric Acid Esters
  作者：Michael R. Emmett、Huck K. Grover、Michael A. Kerr

  DOI：10.1021/jo3010606

  日期：2012.8.3

  Cyclopropane hemimalonates, when treated with sodium azide, undergo a tandem ring-opening decarboxylation to produce gamma-azidobutyric acids in good yields. These adducts were hydrogenated to form gamma-aminobutyric acid (GABA) methyl esters.