2-[(4-Chlorophenyl)carbamoylamino]propanoic acid | 1396994-81-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[(4-Chlorophenyl)carbamoylamino]propanoic acid
• CAS: 1396994-81-2
• 化学式: C₁₀H₁₁ClN₂O₃
• mdl: MFCD01100871
• 分子量: 242.66
• InChiKey: NPBMFLBWLQUVAV-UHFFFAOYSA-N

物化性质

• 沸点：
  399.4±42.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED 3-AMINOPIPERIDINE<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UNE 3-AMINOPIPÉRIDINE ENRICHIE EN ÉNANTIOMÈRES
  申请人：REUTER CHEMISCHE APPBAU KG

  公开号：WO2014128139A1

  公开（公告）日：2014-08-28

  The present invention relates to a process for the preparation of enantiomerically enriched 3-aminopiperidine, and in particular of its R-enantiomer (R)-3-aminopiperidine. The invention also relates to an enantiomerically enriched intermediate of said process and to specific acid-addition salts of 3-aminopiperidine (hereinafter also APIP) that are useful for obtaining a single enantiomer of APIP, and to crystalline (R)-3-aminopiperidine-dihydrochloride-monohydrateand crystalline (S)-3-aminopiperidine-dihydrochloride-monohydrate.

  本发明涉及一种制备对映体富集的3-氨基哌啶的方法，特别是其R-对映体（R）-3-氨基哌啶。该发明还涉及该过程的对映体富集中间体，以及对3-氨基哌啶（以下简称APIP）的特定酸加盐，用于获得APIP的单一对映体，并且涉及结晶的（R）-3-氨基哌啶二盐酸盐一水合物和结晶的（S）-3-氨基哌啶二盐酸盐一水合物。
• Carboxamide derivatives and their use in the treatment of thromboembolic diseases and tumours
  申请人：——

  公开号：US20040038858A1

  公开（公告）日：2004-02-26

  Compounds of the formula (I), in which the variables have the following meaning, D is phenyl or pyridyl, each of which is unsubstituted or monosubstituted or polysubstituted by Hal, A, OR 2 , N(R 2 ) 2 , NO 2 , CN, COOR 2 or CON(R 2 ) 2 ; R 1 is H, Ar, Het, cycloalkyl or A, which may be substituted by OR 2 , SR 2 , N(R 2 ) 2 , Ar, Het, cycloalkyl, CN, COOR 2 or CON(R 2 ) 2 ; R 2 is H or A; E is phenylene, which may be monosubstituted or polysubstituted by Hal, A, OR 2 , N(R 2 ) 2 , NO 2 , CN, COOR 2 or CON(R 2 ) 2 , or is piperidine-1,4-diyl; W is AR, Het or N(R 2 ) 2 and, if E=piperidine-1,4-diyl, is alternatively R 2 or cycloalkyl, X is NH or O, are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  公式（I）的化合物，其中变量具有以下含义，D是苯基或吡啶基，每个基团未取代或经Hal、A、OR2、N（R2）2、NO2、CN、COOR2或CON（R2）2单取代或多取代；R1为H、Ar、Het、环烷基或A，可能经OR2、SR2、N（R2）2、Ar、Het、环烷基、CN、COOR2或CON（R2）2取代；R2为H或A；E为苯基，可能经Hal、A、OR2、N（R2）2、 、CN、COOR2或CON（R2）2单取代或多取代，或为哌啶-1,4-二基；W为AR、Het或N（R2）2，如果E=piperidine-1,4-diyl，则为R2或环烷基，X为NH或O，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞性疾病和肿瘤的治疗。
• Carboxamide derivatives
  申请人：Dorsch Dieter

  公开号：US20050137230A1

  公开（公告）日：2005-06-23

  Novel compounds of the formula I in which R 1 , D, E, W, X and n are as defined in claim 1, are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  公式I的新化合物，其中R1、D、E、W、X和n如权利要求1所定义，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞性疾病和肿瘤的治疗。
• PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED 3-AMINOPIPERIDINE
  申请人：REUTER CHEMISCHE APPARATEBAU KG

  公开号：US20160251311A1

  公开（公告）日：2016-09-01

  The present invention relates to a process for the preparation of enantiomerically enriched 3-aminopiperidine, and in particular of its R-enantiomer (R)-3-aminopiperidine. The invention also relates to an enantiomerically enriched intermediate of said process and to specific acid-addition salts of 3-aminopiperidine (hereinafter also APIP) that are useful for obtaining a single enantiomer of APIP, and to crystalline (R)-3-aminopiperidine-dihydrochloride-monohydrate and crystalline (S)-3-aminopiperidine-di-hydrochloride-monohydrate.

  本发明涉及一种制备对映富集的3-氨基哌啶，特别是其R-对映体（R）-3-氨基哌啶的方法。本发明还涉及一种对映富集的中间体及用于获得APIP单一对映体的特定酸加成盐，以及结晶的（R）-3-氨基哌啶-双氯化物-一水合物和结晶的（S）-3-氨基哌啶-双氯化物-一水合物。
• Process for the preparation of enantiomerically enriched 3-aminopiperidine
  申请人：REUTER CHEMISCHE APPARATEBAU KG

  公开号：US10464898B2

  公开（公告）日：2019-11-05

  The present invention relates to a process for the preparation of enantiomerically enriched 3-aminopiperidine, and in particular of its R-enantiomer (R)-3-aminopiperidine. The invention also relates to an enantiomerically enriched intermediate of said process and to specific acid-addition salts of 3-aminopiperidine (hereinafter also APIP) that are useful for obtaining a single enantiomer of APIP, and to crystalline (R)-3-aminopiperidine-dihydrochloride-monohydrate and crystalline (S)-3-aminopiperidine-di-hydrochloride-monohydrate.

  本发明涉及一种制备对映体富集的 3-氨基哌啶，特别是其 R-对映体 (R)-3- 氨基哌啶的工艺。本发明还涉及上述工艺的对映体富集中间体，以及有助于获得 APIP 单个对映体的 3-氨基哌啶（以下简称 APIP）的特定酸加成盐，以及结晶的 (R)-3- 氨基哌啶二盐酸盐一水合物和结晶的 (S)-3- 氨基哌啶二盐酸盐一水合物。