tert-Butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate | 191612-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-Butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
• CAS: 191612-24-5
• 化学式: C₂₁H₁₉Cl₃N₂O₂
• 分子量: 437.753
• InChiKey: YFLJBONSFUPFJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2,4-二氯苯基)-5-对氯苯基-4-甲基-吡唑-3-甲酸 以 1,4-二氧六环 、 乙酸乙酯 、 甲苯 为溶剂， 生成 tert-Butyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
  参考文献：
  名称：

  Pyrazole derivatives, method for preparing same, and pharmaceutical

  摘要：

  式(I)的化合物，其中R.sub.1是氟、羟基、(C.sub.1-5)烷氧基、(C.sub.1-5)烷基硫醚、羟基(C.sub.1-5)烷氧基、-NR.sub.10 R.sub.11基团、氰基、(C.sub.1-5)烷基磺酰基或(C.sub.1-5)烷基亚磺酰基；R.sub.2和R.sub.3分别是(C,.sub.4)烷基或与它们所连接的氮原子一起形成饱和或不饱和的5-至10-成员杂环基团，该基团可选择地被(C.sub.1-3)烷基或(C.sub.1-3)烷氧基取代一次或多次；R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和R.sub.9中的每一个都是独立的氢、卤素或三氟甲基，当R.sub.1是氟时，R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和/或R.sub.9也可以是氟甲基；但要注意的是，R.sub.4或R.sub.7的至少一个取代基不是氢；R.sub.10和R.sub.11中的每一个都是独立的氢或(C.sub.1-5)烷基，或者R.sub.10和R.sub.11与它们所连接的氮原子一起形成从吡咯烷-1-基、哌啶-1-基、吗啉-4-基或哌嗪-1-基中选择的杂环基团，该杂环基团可选择地被(C.sub.1-4)烷基取代；公开了制备这些化合物的方法以及含有这些化合物的药物组合物。这些化合物对中枢大麻素受体具有非常高的亲和力。##STR1##

  公开号：

  US06028084A1

文献信息

• Pyrazole derivatives, method for preparing same, and pharmaceutical
  申请人：Sanofi-Synthelabo

  公开号：US06028084A1

  公开（公告）日：2000-02-22

  Compounds of formula (I), wherein R.sub.1 is fluorine, hydroxy, (C.sub.1-5) alkoxy, (C.sub.1-5) alkylthio, hydroxy(C.sub.1-5)alkoxy, a -NR.sub.10 R.sub.11, group, cyano, (C.sub.1-5) alkyl-sulphonyl or (C.sub.1-5) alkylsulphinyl; R.sub.2 and R.sub.3 are each (C,.sub.4) alkyl or, taken together with the nitrogen atom to which they are attached, form a saturated or unsaturated 5- to 10-membered heterocyclic radical optionally substituted one or more times by (C.sub.1-3) alkyl or (C.sub.1-3) alkoxy; each of R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8 and R.sub.9 is independently hydrogen, halogen or trifluoromethyl, and when R.sub.1 is fluorine, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8 and/or R.sub.9 may also be fluoromethyl; with the proviso that at least one of substituents R.sub.4 or R.sub.7. is other than hydrogen; each of R.sub.10 and R.sub.11 is independently hydrogen or (C.sub.1-5) alkyl, or R.sub.10 and R.sub.11, taken together with the nitrogen atom to which they are attached, form a heterocyclic radical selected from pyrrolidin-1-yl, piperidin-1-yl, morpholin-4-yl or piperazin-1-yl optionally substituted by (C.sub.1-4) alkyl; a method for preparing same, and pharmaceutical compositions containing said compounds, are disclosed. Said compounds have very high affinity for central cannabinoid receptors. ##STR1##

  式(I)的化合物，其中R.sub.1是氟、羟基、(C.sub.1-5)烷氧基、(C.sub.1-5)烷基硫醚、羟基(C.sub.1-5)烷氧基、-NR.sub.10 R.sub.11基团、氰基、(C.sub.1-5)烷基磺酰基或(C.sub.1-5)烷基亚磺酰基；R.sub.2和R.sub.3分别是(C,.sub.4)烷基或与它们所连接的氮原子一起形成饱和或不饱和的5-至10-成员杂环基团，该基团可选择地被(C.sub.1-3)烷基或(C.sub.1-3)烷氧基取代一次或多次；R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和R.sub.9中的每一个都是独立的氢、卤素或三氟甲基，当R.sub.1是氟时，R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和/或R.sub.9也可以是氟甲基；但要注意的是，R.sub.4或R.sub.7的至少一个取代基不是氢；R.sub.10和R.sub.11中的每一个都是独立的氢或(C.sub.1-5)烷基，或者R.sub.10和R.sub.11与它们所连接的氮原子一起形成从吡咯烷-1-基、哌啶-1-基、吗啉-4-基或哌嗪-1-基中选择的杂环基团，该杂环基团可选择地被(C.sub.1-4)烷基取代；公开了制备这些化合物的方法以及含有这些化合物的药物组合物。这些化合物对中枢大麻素受体具有非常高的亲和力。##STR1##