4-Chloro-3-(6-methyl-benzooxazol-2-yl)-phenylamine | 293737-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Chloro-3-(6-methyl-benzooxazol-2-yl)-phenylamine
• 英文别名: 4-Chloro-3-(6-methyl-1,3-benzoxazol-2-yl)aniline
• CAS: 293737-71-0
• 化学式: C₁₄H₁₁ClN₂O
• mdl: MFCD00442253
• 分子量: 258.707
• InChiKey: POZZQIAFABBLQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯甲酸甲酯 、 4-Chloro-3-(6-methyl-benzooxazol-2-yl)-phenylamine 在 吡啶 作用下， 生成 [4-Chloro-3-(6-methyl-benzooxazol-2-yl)-phenyl]-carbamic acid methyl ester
  参考文献：
  名称：

  Synthesis and SAR of 2-arylbenzoxazoles, benzothiazoles and benzimidazoles as inhibitors of lysophosphatidic acid acyltransferase-β

  摘要：

  2-Arvibenzoxazoles, benzothiazoles and benzimidazoles were identified as new classes of potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Effects of selected inhibitors on proliferation of tumor cells in vitro were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.023
• 作为产物：
  描述：

  2-(2-Chloro-5-nitro-phenyl)-6-methyl-benzooxazole 在 铁粉 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 4-Chloro-3-(6-methyl-benzooxazol-2-yl)-phenylamine
  参考文献：
  名称：

  Synthesis and SAR of 2-arylbenzoxazoles, benzothiazoles and benzimidazoles as inhibitors of lysophosphatidic acid acyltransferase-β

  摘要：

  2-Arvibenzoxazoles, benzothiazoles and benzimidazoles were identified as new classes of potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Effects of selected inhibitors on proliferation of tumor cells in vitro were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.023