1-(2-ethyl-butyl)-cyclohexanecarbonyl chloride | 211515-46-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 1-(2-ethyl-butyl)-cyclohexanecarbonyl chloride
• 英文别名: 1-(2-ethylbutyl)cyclohexanecarbonyl chloride；1-(2-ethylbutyl)cyclohexane-1-carbonyl chloride
• CAS: 211515-46-7
• 化学式: C₁₃H₂₃ClO
• 分子量: 230.778
• InChiKey: LAMMLENPKIOKSX-UHFFFAOYSA-N

物化性质

• 沸点：
  280.1±9.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-ethyl-butyl)-cyclohexanecarbonyl chloride 在 吡啶 、 水 、 三苯基膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 达塞曲匹
  参考文献：
  名称：

  Bis(2-(Acylamino)phenyl) Disulfides, 2-(Acylamino)benzenethiols, and S-(2-(Acylamino)phenyl) Alkanethioates as Novel Inhibitors of Cholesteryl Ester Transfer Protein

  摘要：

  A series of bis(2-(acylamino)phenyl) disulfides, 2-(acylamino)benzenethiols, S-(2-(acylamino)phenyl) alkanethioates, and related compounds were synthesized, and their inhibitory effect on cholesteryl ester transfer protein activity in human plasma was evaluated. This study elucidated the structural requirements for inhibitory activity and determined that the optimum compound was S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate (27) (JTT-705). This compound achieved 50% inhibition of CETP activity in human plasma at a concentration of 9 mu M and 95% inhibition of CETP activity in male Japanese white rabbits at an oral dose of 30 mg/kg. It increased the plasma HDL cholesterol level by 27% and 54%, respectively, when given at oral doses of 30 or 100 mg/kg once a day for 3 days to male Japanese white rabbits.

  DOI：

  10.1021/jm000224s
• 作为产物：
  描述：

  2-乙基溴代丁烷 在 草酰氯 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 1-(2-ethyl-butyl)-cyclohexanecarbonyl chloride
  参考文献：
  名称：

  Bis(2-(Acylamino)phenyl) Disulfides, 2-(Acylamino)benzenethiols, and S-(2-(Acylamino)phenyl) Alkanethioates as Novel Inhibitors of Cholesteryl Ester Transfer Protein

  摘要：

  A series of bis(2-(acylamino)phenyl) disulfides, 2-(acylamino)benzenethiols, S-(2-(acylamino)phenyl) alkanethioates, and related compounds were synthesized, and their inhibitory effect on cholesteryl ester transfer protein activity in human plasma was evaluated. This study elucidated the structural requirements for inhibitory activity and determined that the optimum compound was S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate (27) (JTT-705). This compound achieved 50% inhibition of CETP activity in human plasma at a concentration of 9 mu M and 95% inhibition of CETP activity in male Japanese white rabbits at an oral dose of 30 mg/kg. It increased the plasma HDL cholesterol level by 27% and 54%, respectively, when given at oral doses of 30 or 100 mg/kg once a day for 3 days to male Japanese white rabbits.

  DOI：

  10.1021/jm000224s

文献信息

• NOVEL COMPOUNDS
  申请人：Hoffmann Torsten

  公开号：US20100160441A1

  公开（公告）日：2010-06-24

  The invention is concerned with compounds of formula I: wherein R, R 2 , and Q are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are useful as inhibitors of cholesteryl ester transfer protein (CETP).

  本发明涉及式I的化合物：其中R，R2和Q如描述和权利要求中定义的那样，以及其生理上可接受的盐。这些化合物可用作胆固醇酯转移蛋白（CETP）的抑制剂。
• New Process
  申请人：Mair Hans-Juergen

  公开号：US20120157504A1

  公开（公告）日：2012-06-21

  The present invention relates to a process for the preparation of S-[2-[1-(2-ethylbutyl)cyclohexylcarbonylamino]-phenyl]2-methylthiopropionate which is useful as a pharmaceutically active compound.

  本发明涉及一种制备S-[2-[1-(2-乙基丁基)环己基甲酰氨基]-苯基]2-甲基硫代丙酸酯的方法，该化合物可用作药物活性化合物。
• NOVEL PROCESS
  申请人：Costello Declan

  公开号：US20110004011A1

  公开（公告）日：2011-01-06

  The present invention relates to a process for the preparation of S-[2-[1-(2-ethylbutyl)cyclohexylcarbonylamino]-phenyl]2-methylthiopropionate which is a useful pharmaceutical active compound.

  本发明涉及一种用于制备S-[2-[1-(2-乙基丁基)环己基甲酰氨基]-苯基]2-甲基硫代丙酸酯的方法，该化合物是一种有用的药物活性化合物。
• Process for the production of acid chlorides
  申请人：Hoffmann Ursula

  公开号：US20070100154A1

  公开（公告）日：2007-05-03

  A process for the preparation of acid halides of formula I which are useful as intermediates in the preparation of i.a. pharmaceutically active compounds.

  一种制备酸卤化物I的方法，其可用作制备药物活性化合物的中间体。
• PROCESS FOR THE PREPARATION OF ACID HALIDES
  申请人：Hoffmann Ursula

  公开号：US20080269517A1

  公开（公告）日：2008-10-30

  A process for the preparation of acid halides of formula I which are useful as intermediates in the preparation of i.a. pharmaceutically active compounds.

  一种制备式I酸卤化物的方法，该酸卤化物在制备医药活性化合物的中间体中有用。