4-benzyloxy-3-methylbenzofuran-2-carbonyl chloride | 193738-20-4

• 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: 4-benzyloxy-3-methylbenzofuran-2-carbonyl chloride
• 英文别名: 3-Methyl-4-phenylmethoxy-1-benzofuran-2-carbonyl chloride
• CAS: 193738-20-4
• 化学式: C₁₇H₁₃ClO₃
• 分子量: 300.741
• InChiKey: YIMDANVJFXWJGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  436.3±40.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzyloxy-3-methylbenzofuran-2-carbonyl chloride 在 silver(l) oxide 作用下， 以 乙醚 、 苯 为溶剂， 反应 3.0h， 生成 Methyl 2-(3-methyl-4-phenylmethoxy-1-benzofuran-2-yl)acetate
  参考文献：
  名称：

  Benzofuran derivatives as ETA-selective, non-peptide endothelin antagonists

  摘要：

  The synthesis and SAR relationships of a series of 4-benzyloxy-3-methylbenzofuran-2-carboxylic acids are described. Compounds from this series show 2- to 16-fold selective binding to the ETA receptor in the micromolar range, and two compounds from this series (32 and 40) were demonstrated to exhibit ETA antagonist activity.

  DOI：

  10.1016/s0223-5234(97)81679-0
• 作为产物：
  描述：

  4-(benzyloxy)-3-methylbenzofuran-2-carboxylic acid 在 氯化亚砜 作用下， 以73.4%的产率得到4-benzyloxy-3-methylbenzofuran-2-carbonyl chloride
  参考文献：
  名称：

  Benzofuran derivatives as ETA-selective, non-peptide endothelin antagonists

  摘要：

  The synthesis and SAR relationships of a series of 4-benzyloxy-3-methylbenzofuran-2-carboxylic acids are described. Compounds from this series show 2- to 16-fold selective binding to the ETA receptor in the micromolar range, and two compounds from this series (32 and 40) were demonstrated to exhibit ETA antagonist activity.

  DOI：

  10.1016/s0223-5234(97)81679-0

文献信息

• Benzofuran derivatives as ETA-selective, non-peptide endothelin antagonists
  作者：JS Kaltenbronn、J Quin、BR Reisdorph、S Klutchko、EE Reynolds、KM Welch、MA Flynn、AM Doherty

  DOI：10.1016/s0223-5234(97)81679-0

  日期：1997.5

  The synthesis and SAR relationships of a series of 4-benzyloxy-3-methylbenzofuran-2-carboxylic acids are described. Compounds from this series show 2- to 16-fold selective binding to the ETA receptor in the micromolar range, and two compounds from this series (32 and 40) were demonstrated to exhibit ETA antagonist activity.