3-Carboxy-4-(trifluoromethoxy)phenylboronic acid | 2096329-67-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Carboxy-4-(trifluoromethoxy)phenylboronic acid
• 英文别名: 5-borono-2-(trifluoromethoxy)benzoic acid
• CAS: 2096329-67-6
• 化学式: C₈H₆BF₃O₅
• 分子量: 249.94
• InChiKey: HOQWULMXJNHMDR-UHFFFAOYSA-N

物化性质

• 沸点：
  384.2±52.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.04
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-Carboxy-4-(trifluoromethoxy)phenylboronic acid 、 (R)-8-bromo-7-chloro-3-isobutyl-2-methyl-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,2,5]thiadiazepine 1,1-dioxide 在 trans-bis(triphenylphosphine)palladium dichloride 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 (R)-5-(7-chloro-3-isobutyl-2-methyl-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,2,5]thiadiazepin-8-yl)-2-(trifluoromethoxy)benzoic acid
  参考文献：
  名称：

  FUSED HETEROBICYCLIC ANTIVIRAL AGENTS

  摘要：

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, thereof: which inhibit the cellular entry of hepatitis B virus (HBV) and/or hepatitis D virus (HDV) or interfere with the function of the life cycle of HBV and/or HDV and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV and/or HDV infection. The invention also relates to methods of treating an HBV and/or HDV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  公开号：

  WO2024044183A1