Ethyl (4-chloro-2-cyclohexylphenoxy)acetate | 1011486-37-5

• 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: Ethyl (4-chloro-2-cyclohexylphenoxy)acetate
• 英文别名: ethyl 2-(4-chloro-2-cyclohexylphenoxy)acetate
• CAS: 1011486-37-5
• 化学式: C₁₆H₂₁ClO₃
• 分子量: 296.794
• InChiKey: BATUGUAQMCPQJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl (4-chloro-2-cyclohexylphenoxy)acetate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以85%的产率得到2-Cyclohexyl-4-chlorphenoxy-essigsaeure
  参考文献：
  名称：

  2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists

  摘要：

  High throughput screening identified a phenoxyacetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimised to furnish a compound with functional potency for inhibition of human eosinophil shape change and oral bioavailability in the rat. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.019
• 作为产物：
  描述：

  4-氯-2-环己基酚 、 溴乙酸乙酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以90%的产率得到Ethyl (4-chloro-2-cyclohexylphenoxy)acetate
  参考文献：
  名称：

  2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists

  摘要：

  High throughput screening identified a phenoxyacetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimised to furnish a compound with functional potency for inhibition of human eosinophil shape change and oral bioavailability in the rat. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.019

文献信息

• 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists
  作者：David A. Sandham、Clive Aldcroft、Urs Baettig、Lucy Barker、David Beer、Gurdip Bhalay、Zarin Brown、Gerald Dubois、David Budd、Louise Bidlake、Emma Campbell、Brian Cox、Brian Everatt、David Harrison、Catherine J. Leblanc、Jodie Manini、Rachael Profit、Rowan Stringer、Katy S. Thompson、Katharine L. Turner、Morris F. Tweed、Christoph Walker、Simon J. Watson、Steven Whitebread、Jennifer Willis、Gareth Williams、Caroline Wilson

  DOI：10.1016/j.bmcl.2007.05.019

  日期：2007.8

  High throughput screening identified a phenoxyacetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimised to furnish a compound with functional potency for inhibition of human eosinophil shape change and oral bioavailability in the rat. (c) 2007 Elsevier Ltd. All rights reserved.