叔丁基西替立嗪 | 335017-46-4

• 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: 叔丁基西替立嗪
• 英文名称: tert-Butyl Cetirizine
• 英文别名: tert-butyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
• CAS: 335017-46-4
• 化学式: C₂₅H₃₃ClN₂O₃
• 分子量: 445.0
• InChiKey: CRBIKYGPQWQMAG-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于二氯甲烷、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-氯二苯甲基)哌嗪 、 2-(2-氯乙氧基)乙酸叔丁酯 、 sodium hydroxide 、 叔丁胺氢溴酸盐 在 丁酮 、 甲基叔丁基醚 、 水 、 氯化钠 、 hexanes 作用下， 以 丁酮 、 水 为溶剂， 反应 4.0h， 以to afford tert-butyl (RS) 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate as a white crystalline powder (260 g, 96% yield)的产率得到叔丁基西替立嗪
  参考文献：
  名称：

  Process for preparing piperazine-substituted aliphatic carboxylates

  摘要：

  公开了一种制备含哌嗪取代的脂肪族羧酸酯的方法，其化学式为，其中m和n分别是1至6的整数，R和R′相同或不同，可以是氢、C1至C6的烷基或芳基或杂芳基，未取代或取代有至少一个卤素、C1至C6的烷基或C1至C6的烷氧基的取代基，且R″为C3至C12的支链烷基或有机或无机阳离子。该方法包括将化合物的溶液处理，所述化合物的化学式为，其中m，R和R′如上所定义，以及脂肪酸酯的化学式X—（CH2）n—O—CH2—CO（O）R″，其中X是离去基，n和R″如上所定义，用足够量的碱在足够的时间和温度下处理，以形成含哌嗪取代的脂肪族羧酸酯。用酸水解羧酸酯可产生含哌嗪取代的脂肪族羧酸或其酸盐。

  公开号：

  US06239277B1

文献信息

• PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES
  申请人：Salsbury Chemicals, Inc.

  公开号：EP1222179A1

  公开（公告）日：2002-07-17
• EP1222179A4
  申请人：——

  公开号：EP1222179A4

  公开（公告）日：2003-01-02
• US6239277B1
  申请人：——

  公开号：US6239277B1

  公开（公告）日：2001-05-29
• [EN] PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES<br/>[FR] PROCEDE DE PREPARATION DE CARBOXYLATES ALIPHATIQUES SUBSTITUES EN PIPERAZINE
  申请人：SALSBURY CHEMICALS INC

  公开号：WO2001029016A1

  公开（公告）日：2001-04-26

  A process is disclosed for the preparation of a piperazine-substituted aliphatic carboxylate having formula (I) where m and n are individually an integer of from 1 to 6, R and R' are the same or different and are hydrogen, C1 to C6 alkyl or aryl or heteroaryl that is unsubstituted or is substituted with at least one substituent that is halo, C1 to C6 alkyl or C1 to C6 alkoxy and R'' is C3 to C12 branched alkyl or an organic or inorganic cation. The process comprises treating a solution comprising a compound of formula (II) wherein m, R and R' are as defined above and an aliphatic ester of the formula X-(CH2)n-O-CH2-CO(O)R'', where X is a leaving group and n and R'' are as defined above, with an effective amount of an organic or inorganic base for a time and at a temperature sufficient to form a piperazine-substituted aliphatic carboxylate. Hydrolysis of the carboxylate with acid produces a piperazine-substituted aliphatic carboxylic acid or the acid salt thereof.
• Process for preparing piperazine-substituted aliphatic carboxylates
  申请人：Salsbury Chemicals, Inc.

  公开号：US06239277B1

  公开（公告）日：2001-05-29

  A process is disclosed for the preparation of a piperazine-substituted aliphatic carboxylate having the formula where m and n are individually an integer of from 1 to 6, R and R′ are the same or different and are hydrogen, C1 to C6 alkyl or aryl or heteroaryl that is unsubstituted or is substituted with at least one substituent that is halo, C1 to C6 alkyl or C1 to C6 alkoxy and R″ is C3 to C12 branched alkyl or an organic or inorganic cation. The process comprises treating a solution comprising a compound of the formula wherein m, R and R′ are as defined above and an aliphatic ester of the formula X—(CH2)n—O—CH2—CO(O)R″ where X is a leaving group and n and R″ are as defined above, with an effective amount of a base for a time and at a temperature sufficient to form a piperazine-substituted aliphatic carboxylate. Hydrolysis of the carboxylate with acid produces a piperazine-substituted aliphatic carboxylic acid or the acid salt thereof.

  公开了一种制备含哌嗪取代的脂肪族羧酸酯的方法，其化学式为，其中m和n分别是1至6的整数，R和R′相同或不同，可以是氢、C1至C6的烷基或芳基或杂芳基，未取代或取代有至少一个卤素、C1至C6的烷基或C1至C6的烷氧基的取代基，且R″为C3至C12的支链烷基或有机或无机阳离子。该方法包括将化合物的溶液处理，所述化合物的化学式为，其中m，R和R′如上所定义，以及脂肪酸酯的化学式X—（CH2）n—O—CH2—CO（O）R″，其中X是离去基，n和R″如上所定义，用足够量的碱在足够的时间和温度下处理，以形成含哌嗪取代的脂肪族羧酸酯。用酸水解羧酸酯可产生含哌嗪取代的脂肪族羧酸或其酸盐。