2-Amino-3,3-dimethylcyclopent-1-ene-1-carbonitrile | 3597-66-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Amino-3,3-dimethylcyclopent-1-ene-1-carbonitrile
• 英文别名: 2-amino-3,3-dimethylcyclopentene-1-carbonitrile
• CAS: 3597-66-8
• 化学式: C₈H₁₂N₂
• mdl: MFCD19206705
• 分子量: 136.19
• InChiKey: KHIAKCIMIJQSIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Process for the preparation of 2,2-dimethyl-5-(4-chlorobenzyl) cyclopentanone and an intermediate useful therefore
  申请人：——

  公开号：US20020013489A1

  公开（公告）日：2002-01-31

  There is provided a process for the prepartion of 2,2-dimethyl-5-(4-chlorobenzyl)cyclopentanone 1 a key intermediate in the production of the antifungal agent metconazole. Also provided is the intermediate compound, 5-(4-chlorobenzyl)-5-cyano-2,2-dimethylcyclopentanone. 2

  提供了一种制备抗真菌剂甲康唑的关键中间体2,2-二甲基-5-(4-氯苄基)环戊酮的过程。还提供了中间体化合物5-(4-氯苄基)-5-氰基-2,2-二甲基环戊酮。
• A PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-5-(4-CLOROBENZYL) CYCLOPENTANONE AND AN INTERMEDIATE USEFUL THEREFOR
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1289938B1

  公开（公告）日：2004-05-12
• US6344580B1
  申请人：——

  公开号：US6344580B1

  公开（公告）日：2002-02-05
• [EN] A PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-5-(4-CHLOROBENZYL) CYCLOPENTANONE AND AN INTERMEDIATE USEFUL THEREFOR<br/>[FR] PROCEDE DE PREPARATION D'UN 2,2-DIMETHYL-5-(4-CHLOROBENZYL) CYCLOPENTANONE ET PRODUITS INTERMEDIAIRES UTILISES POUR CELUI-CI
  申请人：BASF AG

  公开号：WO2002000608A2

  公开（公告）日：2002-01-03

  A process for the preparation of 2,2-dimethyl-5-(4-chlorobenzyl)cyclopentanone (I) by reaction isobutyronitrile with 1-bromo-3-chloropropane in the presence of a first base in a non-polar solvent to afford 5-chloro-2,2-dimethylpentanenitrile; treating said 5-chloro-2,2-dimethylpentanenitrile with a cyanide-delivering reagent in the presence of a phase-transfer catalyst to form 2,2-dimethyladiponitrile; cyclizing said 2,2-dimethyladiponitrile in the presence of a second base in a non-polar solvent to afford 3,3-dimethyl-2-amino-1-cyanocyclopentene; hydrolyzing said 3,3-dimethyl-2-amino-1-cyanocyclopentene in the presence of an acid to give 5-cyano-2,2-dimethylcyclopentanone; treating said 5-cyano-2,2-dimethylcyclopentanone with 4-chlorobenzyl chloride in the presence of a third base in a polar aprotic solvent to form 5-(4-chorobenzyl)-5-cyano-2,2-dimethylcyclopentanone; and hydrolyzing said 5-(4-chlorobenzyl)-5-cyano-2,2-dimethylcyclopentanone in the presence of an acid to give the desired 5-(4-chlorobenzyl)-2,2-dimethylcyclopentanone; the compound, 5-(4-chlorobenzyl)-5-cyano-2,2-dimethylcyclopentanone.