1,3-bis-(2-methylphenyl)imidazolium chloride | 475578-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis-(2-methylphenyl)imidazolium chloride
• 英文别名: 1,3-Bis(2-methylphenyl)-1H-imidazol-3-ium chloride；1,3-bis(2-methylphenyl)imidazol-1-ium;chloride
• CAS: 475578-12-2
• 化学式: C₁₇H₁₇N₂*Cl
• 分子量: 284.788
• InChiKey: CIGOYJYQFBGXMV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.37
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-bis-(2-methylphenyl)imidazolium chloride 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Simple and Mild Synthesis of Indoles via Hydroamination Reaction Catalysed by NHC–Gold Complexes: Looking for Optimized Conditions

  摘要：

  An efficient heterocyclization of 2-alkynylanilines to indole derivatives has been developed. The reaction proceeds under very mild conditions using small amounts of a gold precatalyst. A range of substrates possessing various functional groups were employed, and the substituted indoles were obtained in very good yields.

  DOI：

  10.1055/s-0035-1560976
• 作为产物：
  描述：

  聚合甲醛 、 草酸醛 、 邻甲苯胺 在 甲酸 、 盐酸 作用下， 以 水 、 1,4-二氧六环 为溶剂， 反应 5.0h， 以95%的产率得到1,3-bis-(2-methylphenyl)imidazolium chloride
  参考文献：
  名称：

  A more sustainable and efficient access to IMes·HCl and IPr·HCl by ball-milling

  摘要：

  一种用户友好型且环保的合成方法，通过机械化学方法实现了广泛使用的N-杂环卡宾（NHC）前体的合成。

  DOI：

  10.1039/c7gc03539j

文献信息

• Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound
  申请人：Matoba Kazutaka

  公开号：US20100160683A1

  公开（公告）日：2010-06-24

  There is provided a novel process for production of a 2-(substituted phenyl)-3,3,3-trifluoropropene. Disclosed is a process for production of a 2-(substituted phenyl)-3,3,3-trifluoropropene compound represented by the formula (7) or a salt thereof The process comprises reacting a compound represented by the formula (1) (X is an alkyl group, etc.) with a compound represented by the formula (2) (Y is a halogen atom, etc.) in the presence of a catalyst represented by the formula (3) (M is an ion of a metal belonging to Group 10 on the elementary periodic table which has an oxidation state number of 1 to 8; G is a unidentate or multidentate ligand; L is a phosphine compound represented by the formula (4) which is bound to the center metal M or is a carbene selected from those represented by the formulae (5) and (6), provided that L's may be same as or different from one another when a is 2 to 5; A represents a univalently or multivalently charged anion; b represents an integer of 1 to 3; a represents an integer of 1 to 5·b; c represents 0 or an integer of 1 to 4·b; and n represents an integer of 1 to 6).

  提供了一种生产2-(取代苯基)-3,3,3-三氟丙烯的新型工艺。公开了一种生产由式(7)表示的2-(取代苯基)-3,3,3-三氟丙烯化合物或其盐的工艺。该工艺包括在催化剂的存在下，将由式(1)表示的化合物（其中X为烷基等）与由式(2)表示的化合物（其中Y为卤素原子等）反应。催化剂由式(3)表示（其中M是元素周期表上属于第10族金属的离子，其氧化态数为1至8；G是单齿或多齿配体；L是与中心金属M结合的磷化合物，由式(4)表示，或者是从由式(5)和(6)表示的卡宾中选择的卡宾，但当a为2至5时，L可能相同也可能不同；A表示单价或多价带电阴离子；b表示1至3的整数；a表示1至5·b的整数；c表示0或1至4·b的整数；n表示1至6的整数）。
• 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 PREPARATION OF AMINES
  申请人：Tobler Hans

  公开号：US20090221856A1

  公开（公告）日：2009-09-03

  The present invention relates to a novel a process for the preparation of the compound of the general formula (I), wherein R 1 and R 2 are independently H or C 1-6 alkyl, which comprises treating with a reducing agent either a compound of the general formula (II), wherein R 1 and R 2 have the meanings given for the compound of the formula (I), R 3 is H or C 1-4 alkyl and Ph is phenyl, or a compound of the general formula (III), wherein R 1 , R 2 , R 3 and Ph have the meanings given for the compound of the formula (II), the reducing agent being effective to cleave the benzyl moiety Ph-CH(R 3 )— from the benzylamino moiety PhCH(R 3 )NH— in the compound of the formula (II) or in the compound of the formula (III) to leave an amino group and, in addition, in the case of the compound of the formula (III), to reduce both the 2,3-double bond and the double bond joining the R 1 R 2 C— moiety to the 9-position of the benzonorbornene ring to single bonds. It also relates to processes for the preparation of the compounds (II) and (III) and their precursors and to the compounds (II) and (III) themselves and certain of their precursors, which are novel compounds. The compounds (I) are useful for the preparation of various fungicidal heterocyclyl-carboxylic acid benzonorbornen-5-yl-amides.

  本发明涉及一种制备通式（I）化合物的新型方法，其中R1和R2独立地表示H或C1-6烷基，包括以下步骤：使用还原剂处理通式（II）化合物或通式（III）化合物，其中R1和R2具有通式（I）化合物中所给定的含义，R3为H或C1-4烷基，Ph为苯基，所述还原剂能够从通式（II）化合物或通式（III）化合物的苄基Ph-CH（R3）中切除苄基PhCH（R3）NH-，以留下氨基，并且在通式（III）化合物的情况下，还能够将2,3-双键和连接R1R2C-基团到苯并[2.2.1]环庚烯环的9位的双键还原为单键。本发明还涉及制备化合物（II）和（III）及其前体的方法，以及化合物（II）和（III）本身及其某些前体，这些是新型化合物。通式（I）化合物可用于制备各种杀真菌的杂环羧酸苯并[2.2.1]环庚烯-5-基酰胺。
• PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES
  申请人：Gribkov Denis

  公开号：US20130035495A1

  公开（公告）日：2013-02-07

  The invention relates to a process for the preparation of formula (I) which process comprises a) reacting a compound of formula (II), wherein X is chloro or bromo, with an organometallic species to (III), wherein X is chloro or bromo; reacting the halobenzyne with a fulvene (IV), to a compound of formula (V) wherein X is chloro or bromo; b) hydrogenating V in the presence of a suitable metal catalyst to a compound of formula (VI) wherein X is chloro or bromo; and either c1) reacting the compound of formula VI with NH3 in the presence of a catalyst comprising palladium and at least one ligand to the compound of formula (VII); and d) reacting the compound of formula VII in the presence of a base with a compound of formula (VIII), to the compound of formula I; or c2 reacting the compound of formula (VI) in the presence of a copper catalyst and a ligand with the compound of formula (VIIIa), to the compound of formula (I).

  本发明涉及一种制备式（I）的方法，该方法包括a）将式（II）的化合物与有机金属物种反应成式（III），其中X为氯或溴；将卤代苯与富烯（IV）反应成式（V），其中X为氯或溴；b）在适当的金属催化剂存在下氢化V成式（VI），其中X为氯或溴；并且c1）在钯和至少一种配体组成的催化剂存在下将式VI的化合物与NH3反应成式（VII）；并且d）在碱存在下将式VII的化合物与式（VIII）的化合物反应成式I；或者c2）在铜催化剂和配体存在下将式VI的化合物与式（VIIIa）的化合物反应成式I。
• Process for the preparation of amines
  申请人：Syngenta Participations AG

  公开号：EP2316813A1

  公开（公告）日：2011-05-04

  The present invention relates to processes for the preparation of compounds of formula (II) and (III). wherein R1 and R2 are independently H or C1-6 alkyl, R3 is H or C1-4 alkyl and Ph is phenyl. It also relates to the compounds (II) and (III) themselves and certain of their precursors, which are novel compounds. Compounds of formula (II) and (III) are useful intermediates for the preparation of various fungicidal heterocyclyl-carboxylic acid benzonorbornen-5-yl-amides.

  本发明涉及式 (II) 和 (III) 化合物的制备工艺。 其中 R1 和 R2 独立地为 H 或 C1-6 烷基，R3 为 H 或 C1-4 烷基，Ph 为苯基。 它还涉及化合物 (II) 和 (III) 本身及其某些前体，它们都是新型化合物。式（II）和（III）化合物是制备各种杀菌杂环羧酸苯并降冰片烯-5-基酰胺的有用中间体。