2-(4-Cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid, 2-ethylhexyl ester

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-Cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid, 2-ethylhexyl ester
• 英文别名: 2-Ethylhexyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate
• 化学式: C₂₂H₃₂O₃
• 分子量: 344.494
• InChiKey: JUHROQISQZHJAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-Ethylhexyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-(4-Cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid, 2-ethylhexyl ester
  参考文献：
  名称：

  Intermediates useful for the preparation of antihistaminic piperidine derivatives

  摘要：

  本发明涉及一种新型中间体和工艺，用于制备某些抗组胺哌啶衍生物，其化学式为 其中 W代表—C(═O)—或—CH(OH)—； R1代表氢或羟基； R2代表氢； R1和R2一起形成连接R1和R2所带的碳原子之间的第二键； n为1至5的整数； m为0或1的整数； R3为—COOH或—COO烷基，其中烷基部分具有1至6个碳原子，直链或支链，A的每个是氢或羟基； 以及其药学上可接受的盐和各自的光学异构体，但其中R1和R2一起形成连接R1和R2所带的碳原子之间的第二键，或者R1代表羟基时，m为整数0。

  公开号：

  US06340761B1

文献信息

• Intermediates useful for the preparation of antihistaminic piperidine
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US06147216A1

  公开（公告）日：2000-11-14

  The present invention is related to a novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of the formula ##STR1## wherein W represents --C(.dbd.O)-- or --CH(OH)--; R.sub.1 represents hydrogen or hydroxy; R.sub.2 represents hydrogen; R.sub.1 and R.sub.2 taken together form a second bond between the carbon atoms bearing R.sub.1 and R.sub.2 ; n is an integer of from 1 to 5; m is an integer 0 or 1; R.sub.3 is --COOH or --COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R.sub.1 and R.sub.2 are ta to form a second bond between the carbon R.sub.1 and R.sub.2 or where R.sub.1 represented hydroxy integer 0.

  本发明涉及一种新型中间体和工艺，可用于制备某些抗组胺酸哌啶衍生物，其化学式为##STR1##其中W代表--C(.dbd.O)--或--CH(OH)--；R.sub.1代表氢或羟基；R.sub.2代表氢；R.sub.1和R.sub.2共同形成连接R.sub.1和R.sub.2的碳原子之间的第二键；n为1至5的整数；m为0或1的整数；R.sub.3为--COOH或--COOalkyl，其中alkyl基含有1至6个碳原子，是直链或支链；每个A都是氢或羟基；以及其药用盐和单体光学异构体，但其中R.sub.1和R.sub.2形成连接R.sub.1和R.sub.2的碳原子之间的第二键或R.sub.1代表羟基时除外。
• Intermediates useful for the preparation of antihistaminic piperidine derivatives
  申请人：Merrell Pharmaceuticals, Inc.

  公开号：US06348597B2

  公开（公告）日：2002-02-19

  The present invention is related to a novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of the formula wherein W represents —C(═O)— or —CH(OH)—; R1 represents hydrogen or hydroxy; R2 represents hydrogen; R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; n is an integer of from 1 to 5; m is an integer 0 or 1; R3 is —COOH or —COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.

  本发明涉及一种新型中间体和过程，该中间体和过程在制备某些抗组胺酸哌啶衍生物的过程中非常有用，其化学式为 其中 W代表—C(═O)—或—CH(OH)—; R1代表氢或羟基; R2代表氢; R1和R2一起形成连接R1和R2的碳原子之间的第二键; n为1至5的整数; m为0或1的整数; R3为—COOH或—COO烷基，其中烷基基团具有1至6个碳原子，直链或支链，A的每个是氢或羟基;以及其药用可接受盐和各自的光学异构体， 但是当R1和R2一起形成连接R1和R2的碳原子之间的第二键或当R1代表羟基时，m为0。