4-[4-(4-Benzhydrylpiperazin-1-yl)butoxy]-2,3,6-trimethylphenol;dihydrochloride

• 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: 4-[4-(4-Benzhydrylpiperazin-1-yl)butoxy]-2,3,6-trimethylphenol;dihydrochloride
• 化学式: C30H40Cl2N2O2
• 分子量: 531.6
• InChiKey: SMKPVYOYMQGQMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.73
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.9
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES
  申请人：Lal Bansi

  公开号：US20110172425A1

  公开（公告）日：2011-07-14

  The present invention relates to a novel water based process for the preparation of substituted diphenylmethyl piperazines of Formula I and pharmaceutically acceptable salts wherein X 1 and X 2 represent independently a hydrogen, a halogen, a straight or branched chain lower alkyl, alkoxy or a hydroxyl radical and R is selected from groups such as acyl, alkyl, alkenyl, aralalkyl, aralalkenyl aralkyl, and aralalkenyl or aralkenyl hydroxyalkyl, aryloxyalkyl, alkoxyalkyl, aminoalkyl or its derivative comprising, reacting a compound of Formula II, with a compound of formula R—X where R is as defined above and X is suitable leaving group which includes halides, but not limiting use of other leaving groups such as tosylate, mesylate and activated acid groups such as acyl halide, anhydrides, mixed anhydrides etc. using water as a solvent, in presence of a catalyst and a base, at 25-100° C.;

  本发明涉及一种用水为基础的新型过程，用于制备化合物I的取代二苯甲基哌嗪及其药用盐，其中X1和X2分别代表氢、卤素、直链或支链低碳基、烷氧基或羟基基团，R选自酰基、烷基、烯基、芳基烷基、芳基烯基、芳基、芳基烯基或芳基羟基烷基、芳基氧基烷基、烷氧基烷基、氨基烷基或其衍生物等，包括将化合物II与化合物R-X反应，其中R如上定义，X是适当的离去基团，包括卤素等卤素，但不限于其他离去基团，如对甲苯磺酸酯、甲磺酸酯和活化酸基团，如酰卤、酸酐、混合酸酐等，使用水作为溶剂，在催化剂和碱的存在下，在25-100°C条件下进行。
• [EN] NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES<br/>[FR] NOUVEAU PROCÉDÉ AQUEUX POUR LA SYNTHÈSE DE DIPHÉNYLMÉTHYLPIPÉRAZINES SUBSTITUÉES
  申请人：CALYX CHEMICALS AND PHARMACEUT

  公开号：WO2010046908A2

  公开（公告）日：2010-04-29

  The present invention relates to a novel water based process for the preparation of substituted diphenylmethyl piperazines of Formula (I) and pharmaceutically acceptable salts: wherein X1 and X2 represent independently a hydrogen, a halogen, a straight or branched chain lower alkyl, alkoxy or a hydroxyl radical and R is selected from groups such as acyl, alkyl, alkenyl, aralalkyl, aralalkenyl aralkyl, and aralalkenyl or aralkenyl hydroxyalkyl, aryloxyalkyl, alkoxyalkyl, aminoalkyl or its derivative comprising, reacting a compound of Formula (II), with a compound of formula R-X where R is as defined above and X is suitable leaving group which includes halides, but not limiting use of other leaving groups such as tosylate, mesylate and activated acid groups such as acyl halide, anhydrides, mixed anhydrides etc.using water as a solvent, in presence of a catalyst and a base, at 25-100 °C; Formula (II).