4,4-bis(2-carboxyethyl)heptanedioic acid | 10428-69-0

• 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: 4,4-bis(2-carboxyethyl)heptanedioic acid
• 英文别名: 4,4-bis(2-carboxyethyl)pimelic acid；methanetetrapropionic acid；Tetrakis-(β-carboxyaethyl)-methan
• CAS: 10428-69-0
• 化学式: C₁₃H₂₀O₈
• 分子量: 304.297
• InChiKey: IPKZFEOIDJTBKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  21
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,4-bis(2-carboxyethyl)heptanedioic acid 在 硫酸 lithium aluminium tetrahydride 、 硫酸 、 氢溴酸 作用下， 以 乙醚 为溶剂， 反应 44.0h， 生成 Tetrakis(3-bromopropyl)methane
  参考文献：
  名称：

  Micelles series. 31. Building blocks for cascade polymers. 11. Synthesis of functionalized cascade cores: tetrakis(.omega.-bromoalkyl)methanes

  摘要：

  A series of tetrakis(bromoalkyl)methanes was synthesized and characterized. The tetrakis(3-bromopropyl)methane was chosen as ideal core to cascade polymers, since it undergoes facile substitution with bulky nucleophiles, denoting the need for at least three carbon atoms between the quaternary center and the leaving group to circumvent major steric problems caused by the core carbon. The readily available 4-nitro-4-(3-hydroxypropyl)-1,7-heptanediol was used to afford a novel entry to tetrakis(3-bromopropyl)methane as well as other building blocks to cascade polymers.

  DOI：

  10.1021/jo00056a023
• 作为产物：
  描述：

  四(2-氰基乙基)甲烷 在 盐酸 作用下， 反应 12.0h， 以100%的产率得到4,4-bis(2-carboxyethyl)heptanedioic acid
  参考文献：
  名称：

  Micelles series. 31. Building blocks for cascade polymers. 11. Synthesis of functionalized cascade cores: tetrakis(.omega.-bromoalkyl)methanes

  摘要：

  A series of tetrakis(bromoalkyl)methanes was synthesized and characterized. The tetrakis(3-bromopropyl)methane was chosen as ideal core to cascade polymers, since it undergoes facile substitution with bulky nucleophiles, denoting the need for at least three carbon atoms between the quaternary center and the leaving group to circumvent major steric problems caused by the core carbon. The readily available 4-nitro-4-(3-hydroxypropyl)-1,7-heptanediol was used to afford a novel entry to tetrakis(3-bromopropyl)methane as well as other building blocks to cascade polymers.

  DOI：

  10.1021/jo00056a023

文献信息

• DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO
  申请人：Kane John

  公开号：US20130131310A1

  公开（公告）日：2013-05-23

  The present invention relates to methods for synthesizing compounds of formula I or pharmaceutically acceptable salts thereof: (I) wherein each of X, Alk, and W are as defined and described herein.

  本发明涉及一种合成式I化合物或其药用可接受盐的方法：（I），其中X、Alk和W中的每一个如本文所定义和描述。
• Spirans. XIII. 3,9-Disubstituted Spiro[5.5]undecane Compounds
  作者：Leonard Rice、Kenneth Scott

  DOI：10.1021/jo01281a602

  日期：1967.6
• Micelles series. 31. Building blocks for cascade polymers. 11. Synthesis of functionalized cascade cores: tetrakis(.omega.-bromoalkyl)methanes
  作者：George R. Newkome、Sadao Arai、Frank R. Fronczek、Charles N. Moorefield、Xiaofeng Lin、Claus D. Weis

  DOI：10.1021/jo00056a023

  日期：1993.2

  A series of tetrakis(bromoalkyl)methanes was synthesized and characterized. The tetrakis(3-bromopropyl)methane was chosen as ideal core to cascade polymers, since it undergoes facile substitution with bulky nucleophiles, denoting the need for at least three carbon atoms between the quaternary center and the leaving group to circumvent major steric problems caused by the core carbon. The readily available 4-nitro-4-(3-hydroxypropyl)-1,7-heptanediol was used to afford a novel entry to tetrakis(3-bromopropyl)methane as well as other building blocks to cascade polymers.