2-[2-(1-methylethyl)phenyl]-1-benzofuran-7-amine | 1238348-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-[2-(1-methylethyl)phenyl]-1-benzofuran-7-amine
• CAS: 1238348-96-3
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: GMSATGIXKCDXDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  39.16
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-[2-(1-methylethyl)phenyl]-1-benzofuran-7-amine 、 4-二甲氨基苯异氰酸酯 以 二氯甲烷 为溶剂， 生成 1-(4-(Dimethylamino)phenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea
  参考文献：
  名称：

  Benzofuran-substituted urea derivatives as novel P2Y1 receptor antagonists

  摘要：

  Benzofuran-substituted urea analogs have been identified as novel P2Y(1) receptor antagonists. Structure activity relationship studies around the urea and the benzofuran moieties resulted in compounds having improved potency. Several analogs were shown to inhibit ADP-mediated platelet activation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.072
• 作为产物：
  描述：

  2-[2-(1-methylethyl)phenyl]-7-nitro-1-benzofuran 在 tin(II) chloride dihdyrate 作用下， 以 乙酸乙酯 为溶剂， 生成 2-[2-(1-methylethyl)phenyl]-1-benzofuran-7-amine
  参考文献：
  名称：

  Benzofuran-substituted urea derivatives as novel P2Y1 receptor antagonists

  摘要：

  Benzofuran-substituted urea analogs have been identified as novel P2Y(1) receptor antagonists. Structure activity relationship studies around the urea and the benzofuran moieties resulted in compounds having improved potency. Several analogs were shown to inhibit ADP-mediated platelet activation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.072