4-氯-2-(氯甲基)苯甲酰氯 | 652135-42-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-2-(氯甲基)苯甲酰氯
• 英文名称: Benzoyl chloride, 4-chloro-2-(chloromethyl)-
• 英文别名: 4-chloro-2-(chloromethyl)benzoyl chloride
• CAS: 652135-42-7
• 化学式: C₈H₅Cl₃O
• 分子量: 223.5
• InChiKey: MIQAFRMNDGMJPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] PROCESS FOR THE PREPARATION OF 1-(3-DIMETHYLAMINOPROPYL) -1-(4-FLUOROPHENYL) -1,3-DIHYDROISOBENZOFURAN -5-CARBONITRILE<br/>[FR] PROCEDE POUR LA PREPARATION DE 1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURANE-5-CARBONITRILE
  申请人：ORION CORP FERMION

  公开号：WO2004011450A1

  公开（公告）日：2004-02-05

  The present invention is directed to novel processes for the preparation of citalopram comprising halogenation of a phthalide compound of formula II, wherein R is a suitable group to be changed to CN, to afford an acid halogenide compound of formula III wherein R is as defined above and X is halogen, and thereafter obtaining citalopram through two successive reactions with suitable organometallic halides or organoboranes or by a reaction with organometallic 4-fluorophenylhalide or 4-fluorophenylborane followed by reduction and alkylation, and an exchange of R to cyano to afford citalopram. The order of the reactions can be varied depending e.g. on the starting compound used.

  本发明涉及一种用于制备西酞普兰的新型工艺，包括对式II的邻苯二酮化合物进行卤代作用，其中R是一个适合改变为CN的基团，以得到式III的酸卤化合物，其中R如上定义，X是卤素，然后通过两个连续反应与适当的有机金属卤化物或有机硼烷或通过与有机金属4-氟苯基卤化物或4-氟苯基硼烷反应后进行还原和烷基化，以及将R交换为氰基以得到西酞普兰。反应的顺序可以根据使用的起始化合物等因素进行变化。
• Process for the preparation of 1 - (3-dimethylaminopropyl) -1 - (4-fluorophenyl) -1,3-dihydroisobenzofuran-5-carbonitrile
  申请人：Hilden Leif

  公开号：US20050209467A1

  公开（公告）日：2005-09-22

  The present invention is directed to novel processes for the preparation of citalopram comprising halogenation of a phthalide compound of formula II, wherein R is a suitable group to be changed to CN, to afford an acid halogenide compound of formula III wherein R is as defined as above and X is halogen, and thereafter obtaining citalopram through two successive reactions with suitable organometallic halides or organoboranes or by a reaction with organometallic 4-fluorophenylhalide or 4-fluorophenylborane followed by reduction and alkylation, and an exchange of R to cyano to afford citalopram. The order of the reactions can be varied depending for example on the starting compound used.

  本发明涉及制备西酞普兰的新工艺，包括对式II的邻苯二酸酐化合物进行卤代反应，其中R是适当的基团，可被改变为CN，以得到式III的酸卤化合物，其中R如上所定义，X为卤素，然后通过与适当的有机金属卤化物或有机硼烷进行两步连续反应，或通过与有机金属4-氟苯基卤化物或4-氟苯基硼烷反应后还原和烷基化，以及将R交换为氰基以得到西酞普兰。反应的顺序可以根据所使用的起始化合物进行变化。