(E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-phenyl]-but-2-enoic acid methyl ester | 185685-61-4

• 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: (E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-phenyl]-but-2-enoic acid methyl ester
• CAS: 185685-61-4
• 化学式: C₂₆H₃₀O₃
• 分子量: 390.522
• InChiKey: PBAFZJMFJNBCFA-BMRADRMJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-phenyl]-but-2-enoic acid methyl ester 在 sodium hydroxide 作用下， 生成 (E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]but-2-enoic acid
  参考文献：
  名称：

  Application of the Heck reaction in the synthesis of truncated naphthoic acid retinoids

  摘要：

  A series of truncated naphthoic acid retinoids have been prepared using the Heck reaction. These retinoids were evaluated in the RAR transactivation assay in vitro and in the utriculi reduction assay in vivo. It has been found that the naphthalene ring of the retinoids is crucial for their retinoid activity and receptor selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00523-9
• 作为产物：
  描述：

  1,1,4,4-四甲基-1,2,3,4-四氢萘 在 palladium diacetate 三氯化铝 、 四丁基氯化铵 、 potassium carbonate 作用下， 生成 (E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-phenyl]-but-2-enoic acid methyl ester
  参考文献：
  名称：

  Application of the Heck reaction in the synthesis of truncated naphthoic acid retinoids

  摘要：

  A series of truncated naphthoic acid retinoids have been prepared using the Heck reaction. These retinoids were evaluated in the RAR transactivation assay in vitro and in the utriculi reduction assay in vivo. It has been found that the naphthalene ring of the retinoids is crucial for their retinoid activity and receptor selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00523-9