5-Fluoro-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene | 846024-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5-Fluoro-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
• CAS: 846024-93-9
• 化学式: C₁₅H₂₁FO
• 分子量: 236.33
• InChiKey: TWLFZLRKEUYPBV-UHFFFAOYSA-N

物化性质

• 沸点：
  288.0±40.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Fluoro-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene 在 palladium diacetate sodium tetrahydroborate 、 三氯化铝 、 甲酸 、 三乙胺 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 生成
  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：

  2,5-二甲基-2,5-己二醇 在 三氯化铝 、 sodium hydride 作用下， 生成 5-Fluoro-7-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
  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

文献信息

• [EN] HEPATOCYTE NUCLEAR FACTOR 4alpha MODULATOR COMPOUNDS<br/>[FR] COMPOSES MODULATEURS DU FACTEUR NUCLEAIRE DES HEPATOCYTES 4- DOLLAR G(A)
  申请人：LIGAND PHARMCEUTICALS INC

  公开号：WO2005017185A2

  公开（公告）日：2005-02-24

  The present invention is directed to hepatocyte nuclear factor 4α (HNF-4α) receptor modulator compounds. This invention is also directed to pharmaceutical compositions containing such compounds as well as methods of using such compounds and pharmaceutical compositions for modulating HNF-4α receptors as well as processes mediated by HNF-4α receptors. Also provided are methods of making such compounds and pharmaceutical compositions, as well as intermediates used in their synthesis.
• Structural modifications of 6-naphthalene-2-carboxylate retinoids
  作者：Kuo-Long Yu、Jacek Ostrowski、Simon Chen、Kenneth M. Tramposch、Peter R. Reczek、Muzammil M. Mansuri、John E. Starrett

  DOI：10.1016/s0960-894x(96)00524-0

  日期：1996.12

  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