[1-hexyl-3-(4-trifluoromethylphenyl)-1H-pyrazol-5-yl]methanol | 908250-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1-hexyl-3-(4-trifluoromethylphenyl)-1H-pyrazol-5-yl]methanol
• 英文别名: [2-hexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
• CAS: 908250-60-2
• 化学式: C₁₇H₂₁F₃N₂O
• 分子量: 326.362
• InChiKey: ZHYOHEJQSMHGGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [1-hexyl-3-(4-trifluoromethylphenyl)-1H-pyrazol-5-yl]methanol 在 氯化亚砜 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 6.0h， 生成 5-chloromethyl-1-hexyl-3-(4-trifluoromethylphenyl)-1H-pyrazole
  参考文献：
  名称：

  WO2006/90920

  摘要：

  公开号：

文献信息

• ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP1854784A1

  公开（公告）日：2007-11-14

  A compound or its salt having the following formula (II) is used as an activator for PPAR δ: [in which each of R11 and R13 is a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, an alkyl group having 1 to 8 carbon atoms and a halogen atom substituent, etc.; R12 is a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, an alkyl group having 1 to 8 carbon atoms and a halogen atom substituent, etc.; each of R14 and R15 is a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, or an alkyl group having 1 to 8 carbon atoms and a halogen atom substituent; X1 is CH or N; Z1 is an oxygen atom or a sulfur atom; W1 is an oxygen atom or CH2; and q is an integer of 2 to 4].

  以下化合物或其盐，其化学式为（II），用作PPARδ的激活剂：[其中R11和R13分别是氢原子，具有1至8个碳原子的烷基，具有1至8个碳原子的烷氧基，具有1至8个碳原子和卤素取代基的烷基等; R12是氢原子，具有1至8个碳原子的烷基，具有1至8个碳原子的烷氧基，具有1至8个碳原子和卤素取代基的烷基等; R14和R15分别是氢原子，具有1至8个碳原子的烷基，或具有1至8个碳原子和卤素取代基的烷基; X1是CH或N; Z1是氧原子或硫原子; W1是氧原子或CH2; q为2至4的整数]。
• Activator for Peroxisome Proliferator-Activating Receptor Delta
  申请人：Sakuma Shogo

  公开号：US20090240058A1

  公开（公告）日：2009-09-24

  A compound or its salt having the following formula (II) is used as an activator for PPAR δ: in which each of R 11 and R 13 is a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, an alkyl group having 1 to 8 carbon atoms and a halogen atom substituent, etc.; R 12 is a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, an alkyl group having 1 to 8 carbon atoms and a halogen atom substituent, etc.; each of R 14 and R 15 is a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, or an alkyl group having 1 to 8 carbon atoms and a halogen atom substituent; X 1 is CH or N; Z 1 is an oxygen atom or a sulfur atom; W 1 is an oxygen atom or CH 2 ; and q is an integer of 2 to 4.

  具有以下式子（II）的化合物或其盐被用作PPAR δ的激活剂： 其中，R11和R13中的每一个是氢原子，具有1至8个碳原子的烷基基团，具有1至8个碳原子的烷氧基团，具有1至8个碳原子和卤素原子取代基的烷基基团等；R12是氢原子，具有1至8个碳原子的烷基基团，具有1至8个碳原子的烷氧基团，具有1至8个碳原子和卤素原子取代基的烷基基团等；R14和R15中的每一个是氢原子，具有1至8个碳原子的烷基基团，或具有1至8个碳原子和卤素原子取代基的烷基基团；X1是CH或N；Z1是氧原子或硫原子；W1是氧原子或CH2；q是2至4的整数。