3[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yloxycarbonyl]propionic acid | 116706-88-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yloxycarbonyl]propionic acid
• 英文别名: 4-oxo-4-[[2,2,4,6,7-pentamethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran-5-yl]oxy]butanoic acid
• CAS: 116706-88-8
• 化学式: C₂₆H₃₂O₅
• 分子量: 424.537
• InChiKey: JYUWTHHCPJIMTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-hydroxy-2,2,4,6,7-pentamethyl-3-(4-isopropylphenyl)-2,3-dihydrobenzofuran 生成 3[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yloxycarbonyl]propionic acid
  参考文献：
  名称：

  TERAO, SHINJI;MAKI, YOSHITAKA

  摘要：

  DOI：

文献信息

• Coumaran derivatives and their pharmaceutical use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04857516A1

  公开（公告）日：1989-08-15

  A compound of the formula ##STR1## wherein R is a lower alkyl group, R.sup.0 is hydrogen or an acyl group, R.sup.1 and R.sup.2 are lower alkyl groups which may optionally be substituted or wherein R.sup.1 and R.sup.2 are combined to form a butadienylene group which may optionally be substituted, R.sup.3 and R.sup.4 are hydrogen or alkyl groups which may optionally be substituted or wherein R.sup.3 and R.sup.4 are combined to form a polymethylene group, and R.sup.5 is a lower alkyl, aromatic or heterocyclic group which may optionally be substituted or a pharmaceutically acceptable salt thereof, exerts cardiovascular system improving action and antiallergic action and can be used as pharmaceutics, e.g. antithromotics, antiallergic agents etc.

  该化合物的化学式为 ##STR1## 其中R为低碳基团，R.sup.0为氢或酰基团，R.sup.1和R.sup.2为低碳基团，可选地可以被取代，或者R.sup.1和R.sup.2结合形成丁二烯基团，可选地可以被取代，R.sup.3和R.sup.4为氢或可选地被取代的烷基团，或者R.sup.3和R.sup.4结合形成聚亚甲基基团，R.sup.5为低碳基团、芳香基或杂环基，可选地可以被取代，或其药学上可接受的盐，具有改善心血管系统和抗过敏作用，可用作药物，例如抗血栓剂、抗过敏剂等。
• Coumaran derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0273647A1

  公开（公告）日：1988-07-06

  A compound of the formula wherein R is a lower alkyl group, R0 is hydrogen or an acyl group, R1 and R2 are lower alkyl groups which may optionally be substituted or wherein R1 and R2 are combined to form a butadienylene group which may optionally be substituted, R3 and R4 are hydrogen or alkyl groups which may 'optionally be substituted or wherein R3 and R4 are combined to form a polymethylene group, and R5 is a lower alkyl, aromatic or heterocyclic group which may optionally be substituted or a pharmaceutically acceptable salt thereof, exerts cardiovascular system improving action and antiallergic action and can be used as pharmaceutics, e.g. antithromotics, antiallergic agents etc.

  式中 R 为低级烷基，R0 为氢或酰基，R1 和 R2 为可选择被取代的低级烷基，或其中 R1 和 R2 结合形成可选择被取代的丁二烯基，R3 和 R4 为氢或可'选择被取代的烷基，或其中 R3 和 R4 结合形成聚亚甲基，R5 为可选择被取代的低级烷基、芳香族或杂环基，或其药学上可接受的盐的化合物，具有改善心血管系统和抗过敏作用，可用作药物，如抗肿瘤药、抗过敏药等。
• US4857516A
  申请人：——

  公开号：US4857516A

  公开（公告）日：1989-08-15