2-(2,3-二甲基苯基)乙酸乙酯 | 105337-79-9

• 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: 2-(2,3-二甲基苯基)乙酸乙酯
• 英文名称: (2,3-Dimethyl-phenyl)-essigsaeure-ethylester
• 英文别名: Ethyl (2,3-dimethylphenyl)acetate；ethyl 2-(2,3-dimethylphenyl)acetate
• CAS: 105337-79-9
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: NZSPLCIOFNVRGP-UHFFFAOYSA-N

物化性质

• 沸点：
  132-145 °C(Press: 15 Torr)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2,3-二甲基苯基)乙酸乙酯 、 草酸二乙酯 生成 diethyl 2-(2,3-dimethylphenyl)malonate
  参考文献：
  名称：

  van Zanten,B.; Nauta,W., Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二甲基苯甲酸 在 氯化亚砜 作用下， 生成 2-(2,3-二甲基苯基)乙酸乙酯
  参考文献：
  名称：

  van Zanten,B.; Nauta,W., Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

  摘要：

  DOI：

文献信息

• Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives
  申请人：Aventisub II Inc.

  公开号：EP2261208A1

  公开（公告）日：2010-12-15

  The present invention is related to novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of formula (I) 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制备某些抗组胺哌啶衍生物的方法，其化学式为(I)，其中W代表-C（=O）-或-CH（OH）-；R1代表氢或羟基；R2代表氢；R1和R2一起形成连接带有R1和R2的碳原子之间的第二个键；n为1至5的整数；m为0或1的整数；R3为-COOH或-COOalkyl，其中烷基具有1至6个碳原子，是直链或支链；每个A是氢或羟基；以及其药学上可接受的盐和单一光学异构体，但当R1和R2一起形成连接带有R1和R2的碳原子之间的第二个键或当R1代表羟基时，m为0。
• Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives
  申请人：Aventis Inc.

  公开号：EP1953142A1

  公开（公告）日：2008-08-06

  The present invention is related to novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of formula (I) 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.

  本发明涉及一种新的中间体和过程，可用于制备某些抗组胺哌啶衍生物，该衍生物的化学式为(I)，其中W代表-C(=O)-或-CH(OH)-; R1代表氢或羟基; R2代表氢; R1和R2在承载R1和R2的碳原子之间形成第二个键; n是1到5的整数; m是0或1的整数; R3是-COOH或-COOalkyl，其中烷基具有1到6个碳原子，且为直链或支链; A的每个代表氢或羟基; 以及其药学上可接受的盐和单一光学异构体，但其中当R1和R2在承载R1和R2的碳原子之间形成第二个键或R1代表羟基时，m为0。
• Novel intermediates useful for the preparation of antihistaminic piperidine derivatives
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US20010018521A1

  公开（公告）日：2001-08-30

  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 1 wherein W represents —C(═O)— or —CH(OH)—; R 1 represents hydrogen or hydroxy; R 2 represents hydrogen; R 1 and R 2 taken together form a second bond between the carbon atoms bearing R 1 and R 2 ; n is an integer of from 1 to 5; m is an integer 0 or 1; R 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 1 and R 2 are ta′ to form a second bond between the carbon and R 1 and R 2 or where R 1 represented hydroxy integer 0.

  本发明涉及一种新型中间体和过程，其在制备某些抗组胺哌啶衍生物的过程中有用，该衍生物的化学式为1，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个键；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，是直链或支链；每个A都是氢或羟基；以及其药学上可接受的盐和各自的光学异构体，但其中当R1和R2结合形成连接R1和R2的第二个键时，或当R1代表羟基时，n为0。
• NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0705245A1

  公开（公告）日：1996-04-10
• US6147216A
  申请人：——

  公开号：US6147216A

  公开（公告）日：2000-11-14