8-chloro-5,6-dimethoxy-4,4-dimethyltetralin | 102535-50-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 8-chloro-5,6-dimethoxy-4,4-dimethyltetralin
• 英文别名: 8-chloro-5,6-dimethoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
• CAS: 102535-50-2
• 化学式: C₁₄H₁₉ClO₂
• 分子量: 254.757
• InChiKey: OTBXGHWEXMLNDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-chloro-5,6-dimethoxy-4,4-dimethyltetralin 在 palladium on activated charcoal chromium(VI) oxide 、 盐酸 、 sodium tetrahydroborate 、 三氯化铝 、 氢气 、 sodium acetate 、 对甲苯磺酸 作用下， 以 甲醇 、 乙醇 、 水 、 溶剂黄146 、 丙酸 、 甲苯 、 苯 为溶剂， 25.0~65.0 ℃ 、303.98 kPa 条件下， 反应 5.58h， 生成 2-(5,6-dimethoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-4,5-dihydro-1H-imidazole
  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：

  methyl (2-chloro-4,5-dimethoxyphenyl)butyrate 在 甲烷磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 8-chloro-5,6-dimethoxy-4,4-dimethyltetralin
  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：——