Sodium;5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-2-carboxylate | 1022906-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Sodium;5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-2-carboxylate
• CAS: 1022906-03-1
• 化学式: C₁₉H₁₄ClO₃S*Na
• 分子量: 380.827
• InChiKey: HXWMHPDAHRZXLK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 5-(2-(benzyloxy)-5-chlorobenzyl)thiophene-2-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 Sodium;5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-2-carboxylate
  参考文献：
  名称：

  Novel methylene-linked heterocyclic EP1 receptor antagonists

  摘要：

  We describe the SAR, in terms of heterocyclic replacements, for a series of pyrazole EP1 receptor antagonists. This study led to the identification of several aromatic heterocyclic replacements for the pyrazole in the original compound. Investigation of replacements for the methylene linker uncovered disparate SAR in the thiazole and pyridine series. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.071

文献信息

• Novel methylene-linked heterocyclic EP1 receptor antagonists
  作者：Adrian Hall、Rino A. Bit、Susan H. Brown、Anita Chowdhury、Gerard M.P. Giblin、David N. Hurst、Ian R. Kilford、Xiao Lewell、Alan Naylor、Tiziana Scoccitti

  DOI：10.1016/j.bmcl.2008.01.071

  日期：2008.3

  We describe the SAR, in terms of heterocyclic replacements, for a series of pyrazole EP1 receptor antagonists. This study led to the identification of several aromatic heterocyclic replacements for the pyrazole in the original compound. Investigation of replacements for the methylene linker uncovered disparate SAR in the thiazole and pyridine series. (c) 2008 Elsevier Ltd. All rights reserved.