5-Methoxy-6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-naphthalene-2-carboxylic acid methyl ester | 186526-09-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5-Methoxy-6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-naphthalene-2-carboxylic acid methyl ester
• CAS: 186526-09-0
• 化学式: C₂₈H₃₀O₄
• 分子量: 430.544
• InChiKey: JIMDHJSBXFXNEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-Methoxy-6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-naphthalene-2-carboxylic acid methyl ester 在 sodium hydroxide 、 三溴化硼 作用下， 生成 5-Hydroxy-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
  参考文献：
  名称：

  Structural modifications of 6-naphthalene-2-carboxylate retinoids

  摘要：

  The keto linker of 2-naphthoate retinoid 1 has been found nonessential for RAR transactivation activity and can be replaced with heteroatoms such as S, O, N without significant reduction of the activity. On the other hand, substitutions on the aromatic rings of retinoids 1 and 2 resulted in analogs with reduced potentcy and RAR selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00524-0
• 作为产物：
  描述：

  6-乙酰氧基-1-乙酰氨基萘 在 palladium diacetate 盐酸 、 4-二甲氨基吡啶 、 sodium hydroxide 、 tetrafluoroboric acid 、 三氯化铝 、 硫酸 、 1,3-双(二苯基膦)丙烷 、 sodium hydride 、 三乙胺 、 sodium nitrite 作用下， 以 硝基甲烷 为溶剂， 生成 5-Methoxy-6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-naphthalene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Structural modifications of 6-naphthalene-2-carboxylate retinoids

  摘要：

  The keto linker of 2-naphthoate retinoid 1 has been found nonessential for RAR transactivation activity and can be replaced with heteroatoms such as S, O, N without significant reduction of the activity. On the other hand, substitutions on the aromatic rings of retinoids 1 and 2 resulted in analogs with reduced potentcy and RAR selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00524-0