Diethyl 2-(4-aminobutyl)-2-propylpropanedioate | 1531637-62-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Diethyl 2-(4-aminobutyl)-2-propylpropanedioate
• 英文别名: diethyl 2-(4-aminobutyl)-2-propylpropanedioate
• CAS: 1531637-62-3
• 化学式: C₁₄H₂₇NO₄
• 分子量: 273.373
• InChiKey: VIUCWCXDIBEWJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Diethyl 2-(4-aminobutyl)-2-propylpropanedioate 在 盐酸 作用下， 以 水 为溶剂， 反应 16.0h， 以554 mg的产率得到6-amino-2-n-propyl hexanoic acid
  参考文献：
  名称：

  Methodology for the manufacturable synthesis of valproic acid conjugates

  摘要：

  An efficient synthesis of a chemiluminescent valproic acid conjugate is described. Reaction of diethyl propylmalonate with 4-bromobutylphthalimide produced an amino protected malonate, which was deprotected with hydrazine and treated with HCl to produce an aminoderivatized valproic acid. Reaction with an acridinium active ester produced the conjugate in good yield. Careful selection of commercially available materials and mild conditions made this pathway amenable to scale up. This strategy offers a general method for the preparation of valproic acid conjugates. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.109
• 作为产物：
  描述：

  丙基丙二酸二乙酯 在 sodium hydride 、 肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.67h， 生成 Diethyl 2-(4-aminobutyl)-2-propylpropanedioate
  参考文献：
  名称：

  Methodology for the manufacturable synthesis of valproic acid conjugates

  摘要：

  An efficient synthesis of a chemiluminescent valproic acid conjugate is described. Reaction of diethyl propylmalonate with 4-bromobutylphthalimide produced an amino protected malonate, which was deprotected with hydrazine and treated with HCl to produce an aminoderivatized valproic acid. Reaction with an acridinium active ester produced the conjugate in good yield. Careful selection of commercially available materials and mild conditions made this pathway amenable to scale up. This strategy offers a general method for the preparation of valproic acid conjugates. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.109

文献信息

• Methodology for the manufacturable synthesis of valproic acid conjugates
  作者：Jonathan Grote、Yon-Yih Chen

  DOI：10.1016/j.tetlet.2013.11.109

  日期：2014.1

  An efficient synthesis of a chemiluminescent valproic acid conjugate is described. Reaction of diethyl propylmalonate with 4-bromobutylphthalimide produced an amino protected malonate, which was deprotected with hydrazine and treated with HCl to produce an aminoderivatized valproic acid. Reaction with an acridinium active ester produced the conjugate in good yield. Careful selection of commercially available materials and mild conditions made this pathway amenable to scale up. This strategy offers a general method for the preparation of valproic acid conjugates. (C) 2013 Elsevier Ltd. All rights reserved.