6-(4-tert.-Butylbenzoyl)-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one | 950674-79-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 6-(4-tert.-Butylbenzoyl)-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one
• 英文别名: 6-(4-tert-butylbenzoyl)-5-(4-fluorophenyl)-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one
• CAS: 950674-79-0
• 化学式: C₃₂H₃₃FO₃
• 分子量: 484.611
• InChiKey: HRIOLAZZOSOQFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(4-tert.-Butylbenzoyl)-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one 在 N,N-diethylanilineborane 、 (1R,2S)-1-氨基-2-茚醇 作用下， 以 四氢呋喃 为溶剂， 生成 (4-tert-Butylphenyl)[(4S)-5-(4-fluorophenyl)-4-hydroxy-7-isopropyl-3,4-dihydrospiro[chromen-2,1'-cyclobutan]-6-yl]methanone
  参考文献：
  名称：

  Chromanol derivatives—A novel class of CETP inhibitors

  摘要：

  Based on our former development candidate BAY 38-1315, optimization efforts led to the discovery of a novel chemical class of orally active cholesteryl ester transfer protein (CETP) inhibitors. The chromanol derivative 19b is a highly potent CETP inhibitor with favorable pharmacokinetic properties suitable for clinical studies. Chemical process optimization furnished a robust synthesis for a kilogram-scale process. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.110
• 作为产物：
  描述：

  6-[(4-tert-butylphenyl)(hydroxy)methyl]-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one 在 吡啶 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到6-(4-tert.-Butylbenzoyl)-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one
  参考文献：
  名称：

  Substituted Chromanol Derivatives and Their Use

  摘要：

  本发明涉及取代的克罗莫萘衍生物，其制备方法，单独或组合使用于治疗和/或预防疾病，以及用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病的药物。

  公开号：

  US20090306197A1

文献信息

• Substituted Chromanol Derivatives and Their Use
  申请人：Schmeck Carsten

  公开号：US20090306197A1

  公开（公告）日：2009-12-10

  The present invention relates to substituted chromanol derivatives, to processes for their preparation, to their use on their own or in combination for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of cardiovascular disorders.

  本发明涉及取代的克罗莫萘衍生物，其制备方法，单独或组合使用于治疗和/或预防疾病，以及用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病的药物。
• Substituted chromanol derivatives and their use
  申请人：Bayer Intellectual Property GmbH

  公开号：US08227511B2

  公开（公告）日：2012-07-24

  The present invention relates to substituted chromanol derivatives, to processes for their preparation, to their use on their own or in combination for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of cardiovascular disorders.

  本发明涉及取代的色酚衍生物，其制备过程，它们在治疗和/或预防疾病方面的单独或联合使用，以及它们用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• US8227511B2
  申请人：——

  公开号：US8227511B2

  公开（公告）日：2012-07-24
• [DE] SUBSTITUIERTE CHROMANOL-DERIVATE UND IHRE VERWENDUNG<br/>[EN] SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE<br/>[FR] DERIVE DE CHROMANOL SUBSTITUE ET SON UTILISATION
  申请人：BAYER HEALTHCARE AG

  公开号：WO2007107243A1

  公开（公告）日：2007-09-27

  [EN] The present application relates to substituted chromanol derivatives, to processes for their preparation, to their use alone or in combinations for treatment and/or prevention of diseases and to their use for producing medicaments for treatment and/or prevention of diseases, especially for treatment and/or prevention of cardiovascular disorders.
  [FR] La présente invention concerne un dérivé de chromanol substitué, son procédé de fabrication, son utilisation seul ou en combinaison pour le traitement et/ou la prévention de maladies, ainsi que son utilisation pour la fabrication de médicaments pour le traitement et/ou la prévention de maladies, notamment pour le traitement et/ou la prévention de maladies cardiovasculaires.
  [DE] Die vorliegende Anmeldung betrifft substituierte Chromanol-Derivate, Verfahren zu ihrer Herstellung, ihre Verwendung allein oder in Kombinationen zur Behandlung und/oder Prävention von Krankheiten sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prävention von Krankheiten, insbesondere zur Behandlung und/oder Prävention von kardiovaskulären Erkrankungen.
• Chromanol derivatives—A novel class of CETP inhibitors
  作者：Alexandros Vakalopoulos、Carsten Schmeck、Michael Thutewohl、Volkhart Li、Hilmar Bischoff、Klemens Lustig、Olaf Weber、Holger Paulsen、Harry Elias

  DOI：10.1016/j.bmcl.2010.10.110

  日期：2011.1

  Based on our former development candidate BAY 38-1315, optimization efforts led to the discovery of a novel chemical class of orally active cholesteryl ester transfer protein (CETP) inhibitors. The chromanol derivative 19b is a highly potent CETP inhibitor with favorable pharmacokinetic properties suitable for clinical studies. Chemical process optimization furnished a robust synthesis for a kilogram-scale process. (C) 2010 Elsevier Ltd. All rights reserved.