4-(2,3-dimethoxyphenyl)-2-phenylbutanoic acid | 70432-74-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4-(2,3-dimethoxyphenyl)-2-phenylbutanoic acid
• CAS: 70432-74-5
• 化学式: C₁₈H₂₀O₄
• 分子量: 300.354
• InChiKey: IXSUFXULWXRGJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(2,3-dimethoxyphenyl)-2-phenylbutanoic acid 在 PPA 作用下， 反应 0.33h， 生成 5,6-dimethoxy-2-phenyl-1-tetralone
  参考文献：
  名称：

  Conformationally defined adrenergic agents. 3. Modifications to the carbocyclic ring of 5,6-dihydroxy-1-(2-imidazolinyl)tetralin: improved separation of .alpha.1 and .alpha.2 adrenergic activities

  摘要：

  A series of modifications to positions 1, 2, and 4 of the tetralin ring of 5,6-dihydroxy-1-(2-imidazolinyl)tetralin (1, A-54741) succeeded in improving the separation of the potent alpha 1 and alpha 2 adrenergic agonism observed for the parent compound 1. In particular 5,6-dihydroxy-4,4-dimethyl-1-(2-imidazolinyl)tetralin (7) was found to be a specific alpha 1 adrenergic agonist, and 7,8-dihydroxy-4-(2-imidazolinyl)chroman (2) was found to have improved alpha 2 adrenergic agonistic selectivity relative to the parent compound 1.

  DOI：

  10.1021/jm00158a016
• 作为产物：
  描述：

  α-Ethoxycarbonyl-benzyliden-triphenyl-phosphoran 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 、 水 、 苯 为溶剂， 反应 2.5h， 生成 4-(2,3-dimethoxyphenyl)-2-phenylbutanoic acid
  参考文献：
  名称：

  Conformationally defined adrenergic agents. 3. Modifications to the carbocyclic ring of 5,6-dihydroxy-1-(2-imidazolinyl)tetralin: improved separation of .alpha.1 and .alpha.2 adrenergic activities

  摘要：

  A series of modifications to positions 1, 2, and 4 of the tetralin ring of 5,6-dihydroxy-1-(2-imidazolinyl)tetralin (1, A-54741) succeeded in improving the separation of the potent alpha 1 and alpha 2 adrenergic agonism observed for the parent compound 1. In particular 5,6-dihydroxy-4,4-dimethyl-1-(2-imidazolinyl)tetralin (7) was found to be a specific alpha 1 adrenergic agonist, and 7,8-dihydroxy-4-(2-imidazolinyl)chroman (2) was found to have improved alpha 2 adrenergic agonistic selectivity relative to the parent compound 1.

  DOI：

  10.1021/jm00158a016

文献信息

• DEBERNARDIS J. F.; WINN M.; ARENDSEN D. L.; KERKMAN D. J.; KYNCL J. J., J. MED. CHEM., 29,(1986) N 8, 1413-1417
  作者：DEBERNARDIS J. F.、 WINN M.、 ARENDSEN D. L.、 KERKMAN D. J.、 KYNCL J. J.

  DOI：——

  日期：——
• YAMAMURA S.; ODA K.; MIZOGUCHI T.; SAITO S.; IWASAWA Y.; OHASHI M.; KIYOM+, CHEM. AND PHARM. BULL., 1978, 26, NO 12, 3613-3623
  作者：YAMAMURA S.、 ODA K.、 MIZOGUCHI T.、 SAITO S.、 IWASAWA Y.、 OHASHI M.、 KIYOM+

  DOI：——

  日期：——