2-chloro-α-cyclohexylbenzeneacetic acid | 59667-11-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloro-α-cyclohexylbenzeneacetic acid
• 英文别名: 2-(2-Chlorophenyl)-2-cyclohexylacetic acid
• CAS: 59667-11-7
• 化学式: C₁₄H₁₇ClO₂
• 分子量: 252.741
• InChiKey: ZODZQJOWEDSSGR-UHFFFAOYSA-N

物化性质

• 沸点：
  379.2±17.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 2-chloro-α-cyclohexylbenzeneacetic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery of new C3aR ligands. Part 2: Amino-piperidine derivatives

  摘要：

  The synthesis and structure-activity relationships against the C3a receptor of a series of substituted aminopiperidine derivatives are reported. DMPK properties and functional activities of selected compounds are described. The compounds obtained are the first non-arginine ligands of C3aR. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.023
• 作为产物：
  描述：

  邻氯苯乙酸 、 p-甲苯磺酸环己酯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 2-chloro-α-cyclohexylbenzeneacetic acid
  参考文献：
  名称：

  Discovery of new C3aR ligands. Part 2: Amino-piperidine derivatives

  摘要：

  The synthesis and structure-activity relationships against the C3a receptor of a series of substituted aminopiperidine derivatives are reported. DMPK properties and functional activities of selected compounds are described. The compounds obtained are the first non-arginine ligands of C3aR. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.023

文献信息

• 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES
  申请人：Dow Robert L.

  公开号：US20100197590A1

  公开（公告）日：2010-08-05

  The invention provides compounds of Formula (Ia) or pharmaceutically acceptable salts thereof, as well as the preparation, compositions and uses thereof, where R 1 , R 2 , R 3 , and m are defined as described above.

  该发明提供了式(Ia)的化合物或其药用可接受的盐，以及其制备、组成和用途，其中R1、R2、R3和m的定义如上所述。
• US3991201A
  申请人：——

  公开号：US3991201A

  公开（公告）日：1976-11-09
• Discovery of new C3aR ligands. Part 2: Amino-piperidine derivatives
  作者：Frédéric Denonne、Sophie Binet、Maggi Burton、Philippe Collart、Sabine Defays、Alan Dipesa、Maria Eckert、Alexander Giannaras、Seema Kumar、Beth Levine、Jean-Marie Nicolas、Patrick Pasau、Cécile Pégurier、Dorin Preda、Nathalie Van houtvin、Andrew Volosov、Dong Zou

  DOI：10.1016/j.bmcl.2007.04.023

  日期：2007.6

  The synthesis and structure-activity relationships against the C3a receptor of a series of substituted aminopiperidine derivatives are reported. DMPK properties and functional activities of selected compounds are described. The compounds obtained are the first non-arginine ligands of C3aR. (c) 2007 Elsevier Ltd. All rights reserved.