5-(2-chloro-phenyl)-3-cyclopropyl-4,5-dihydro-1H-pyrazole | 928264-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(2-chloro-phenyl)-3-cyclopropyl-4,5-dihydro-1H-pyrazole
• 英文别名: 5-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydro-1H-pyrazole
• CAS: 928264-58-8
• 化学式: C₁₂H₁₃ClN₂
• 分子量: 220.702
• InChiKey: CNZJMZRCFCITCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2-chloro-phenyl)-3-cyclopropyl-4,5-dihydro-1H-pyrazole 在 potassium carbonate 作用下， 以 乙二醇 为溶剂， 反应 4.0h， 生成 (R)-2-(2-chloro-phenyl)bicyclopropyl
  参考文献：
  名称：

  WO2007/25693

  摘要：

  公开号：
• 作为产物：
  描述：

  (E)-(2-chlorostyryl)cyclopropylketone 在 肼 、 草酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 5-(2-chloro-phenyl)-3-cyclopropyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  WO2007/25693

  摘要：

  公开号：

文献信息

• PROCESS FOR THE PRODUCTION OF ANILINES
  申请人：Walter Harald

  公开号：US20090221855A1

  公开（公告）日：2009-09-03

  The present invention relates to a process for the preparation of compounds of formula wherein R 1 , R 2 and R 3 are each independently of the others hydrogen or C 1 -C 4 alkyl, by a) reacting compounds of formula (II) wherein R 1 , R 2 and R 3 are as defined for formula (I) and X is bromine or chlorine, with a compound of formula (III) wherein R 4 is hydrogen or C 1 -C 4 alkyl, in the presence of a base and catalytic amounts of at least one palladium complex compound, to form compounds of formula (IV) wherein R 1 , R 2 , R 3 and R 4 are as defined for formula (I), and b) converting those compounds, using a reducing agent, into compounds of formula (I).

  本发明涉及一种制备式化合物的方法，其中R1、R2和R3各自独立地为氢或C1-C4烷基，通过a)在碱和至少一种钯配合物催化剂存在下，将式（II）化合物与式（III）化合物反应，其中R1、R2和R3如式（I）所定义，X为溴或氯，形成式（IV）化合物，其中R1、R2、R3和R4如式（I）所定义；b)使用还原剂将这些化合物转化为式（I）化合物。
• Process for the production of anilines
  申请人：Syngenta Crop Protection, Inc.

  公开号：US07737301B2

  公开（公告）日：2010-06-15

  The present invention relates to a process for the preparation of compounds of formula wherein R1, R2 and R3 are each independently of the others hydrogen or C1-C4alkyl, by a) reacting compounds of formula (II) wherein R1, R2 and R3 are as defined for formula (I) and X is bromine or chlorine, with a compound of formula (III) wherein R4 is hydrogen or C1-C4alkyl, in the presence of a base and catalytic amounts of at least one palladium complex compound, to form compounds of formula (IV) wherein R1, R2, R3 and R4 are as defined for formula (I), and b) converting those compounds, using a reducing agent, into compounds of formula (I).

  本发明涉及一种制备式化合物的方法，其中R1、R2和R3各自独立地为氢或C1-C4烷基，通过a)将式化合物（II）与X为溴或氯的式化合物（III）在碱和至少一种钯配合物催化剂的存在下反应，其中R1、R2和R3与式（I）中定义的相同，R4为氢或C1-C4烷基，形成式化合物（IV），其中R1、R2、R3和R4均与式（I）中定义的相同，b)使用还原剂将这些化合物转化为式（I）的化合物。
• PROCESS FOR THE PRODUCTION OF AROMATIC AMINDES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND
  申请人：Walter Harald

  公开号：US20100256417A1

  公开（公告）日：2010-10-07

  The present invention relates to a process for the preparation of compounds of Formula (I), wherein R 1 is 1,3-dimethyl-butyl, 1,3,3-trimethyl-butyl or a group A 1 , wherein R 3 , R 4 and R 5 are each independently of the others hydrogen or C 1 -C 4 alkyl; and R 2 is hydrogen; or R 1 and R 2 together from the group A 2 , wherein R 6 , and R7 are each independently of the other hydrogen or C 1 -C 4 alkyl; or R 1 and R 2 together from the group A 3 , wherein R 5 and R 9 are each independently of the other hydrogen or C 1 -C 4 alkyl; wherein a compound of Formula (II) wherein R 1 and R 2 are as defined for formula I and X is bromine or chlorine, is reacted with ammonia in the presence of a base and a catalytic amount of at least one palladium complex compound, wherein the palladium complex compound comprises at least one ferrocenyl-biphosphine ligand.

  本发明涉及一种制备式（I）化合物的方法，其中R1为1,3-二甲基丁基、1,3,3-三甲基丁基或A1基团，其中R3、R4和R5各自独立地为氢或C1-C4烷基；R2为氢；或者R1和R2一起形成A2基团，其中R6和R7各自独立地为氢或C1-C4烷基；或者R1和R2一起形成A3基团，其中R5和R9各自独立地为氢或C1-C4烷基；其中化合物式（II）其中R1和R2如式（I）所定义，X为溴或氯，在碱和至少一种钯配合物催化剂的存在下与氨反应，其中钯配合物包括至少一种二茂铁双膦配体。
• PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND
  申请人：Syngenta Participations AG

  公开号：EP2066617A1

  公开（公告）日：2009-06-10
• US7737301B2
  申请人：——

  公开号：US7737301B2

  公开（公告）日：2010-06-15