(Pyridin-2-yl)methyl chloroformate | 1146034-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (Pyridin-2-yl)methyl chloroformate
• 英文别名: pyridin-2-ylmethyl carbonochloridate
• CAS: 1146034-47-0
• 化学式: C₇H₆ClNO₂
• 分子量: 171.583
• InChiKey: SKTXQJHMXJWBHM-UHFFFAOYSA-N

物化性质

• 沸点：
  235.5±23.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-amine 、 (Pyridin-2-yl)methyl chloroformate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 pyridin-2-ylmethyl N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate
  参考文献：
  名称：

  Non-acidic pyrazole EP1 receptor antagonists with in vivo analgesic efficacy

  摘要：

  Replacement of the carboxylic acid group in a series of previously described methylene-linked pyrazole EP1 receptor antagonists led to the discovery of amide, reversed amide and carbamate derivatives. Two compounds, 10a and 10b, were identified as brain penetrant compounds and both demonstrated efficacy in the CFA model of inflammatory pain. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.018

文献信息

• US4358606A
  申请人：——

  公开号：US4358606A

  公开（公告）日：1982-11-09
• Non-acidic pyrazole EP1 receptor antagonists with in vivo analgesic efficacy
  作者：Adrian Hall、Andy Billinton、Susan H. Brown、Nicholas M. Clayton、Anita Chowdhury、Gerard M.P. Giblin、Paul Goldsmith、Thomas G. Hayhow、David N. Hurst、Ian R. Kilford、Alan Naylor、Barry Passingham、Lisa Winyard

  DOI：10.1016/j.bmcl.2008.04.018

  日期：2008.6

  Replacement of the carboxylic acid group in a series of previously described methylene-linked pyrazole EP1 receptor antagonists led to the discovery of amide, reversed amide and carbamate derivatives. Two compounds, 10a and 10b, were identified as brain penetrant compounds and both demonstrated efficacy in the CFA model of inflammatory pain. (C) 2008 Elsevier Ltd. All rights reserved.