N-(N-Phenylaminocarbonyl)-DL-alanine | 33653-68-8

• 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: N-(N-Phenylaminocarbonyl)-DL-alanine
• 英文别名: 2-(3-Phenylureido)-propionsaeure；N-phenylcarbamoyl-alanine；N-phenylcarbamoyl-DL-alanine；N-Phenylcarbamoyl-alanin；(-)-2-(3-phenylureido)-propionic acid；N-Phenylcarbamoyl-DL-alanin；N-(Anilinocarbonyl)alanine；2-(phenylcarbamoylamino)propanoic acid
• CAS: 33653-68-8
• 化学式: C₁₀H₁₂N₂O₃
• mdl: MFCD00483853
• 分子量: 208.217
• InChiKey: SWIUEMANOAFYHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 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

反应信息

• 作为反应物：
  描述：

  N-(N-Phenylaminocarbonyl)-DL-alanine 在 盐酸 作用下， 生成 5-甲基-3-苯基咪唑烷-2,4-二酮
  参考文献：
  名称：

  Bailey; Randolph, Chemische Berichte, 1908, vol. 41, p. 2499

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基-3-苯基咪唑烷-2,4-二酮 在 氢氧化钾 作用下， 生成 N-(N-Phenylaminocarbonyl)-DL-alanine
  参考文献：
  名称：

  Lutsenko,V.V. et al., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, # 6, p. 1186 - 1191

  摘要：

  DOI：

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、NO2、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。
• Ureidoperoxycarboxylic acids and preparation and use thereof
  申请人：Hoechst Aktiengesellschaft

  公开号：US05149864A1

  公开（公告）日：1992-09-22

  Compounds of the formula ##STR1## where y is 1 or 2, A is hydrogen, C.sub.1 -C.sub.2 -alkyl, aryl or a group of the formula ##STR2## if y is 1, or C.sub.2 -C.sub.20 -alkylene or arylene if y is 2, R.sup.1 and R.sup.2 can be identical or different and each is hydrogen, C.sub.1 -C.sub.20 -alkyl, aryl, haloaryl, alkoxyaryl or alkylaryl, or else R.sup.1 and R.sup.2 together are a C.sub.2 -C.sub.4 -alkylene radical, x is 0 or 1, B is a group of the formula ##STR3## n is from 1 to 20, m is 0, 1 or 2, R.sup.3 is C.sub.1 -C.sub.20 -alkyl and R.sup.4 is in each case hydrogen or C.sub.1 -C.sub.20 -alkyl. These compounds are suitable for use as bleaching, oxidizing or disinfecting agents.

  化合物的公式为 ##STR1## 其中y为1或2，A为氢，C.sub.1-C.sub.2-烷基，芳基或者公式##STR2##的基团（如果y为1），或者C.sub.2-C.sub.20-亚烷基或芳亚烷基（如果y为2），R.sup.1和R.sup.2可以相同也可以不同，每个都是氢，C.sub.1-C.sub.20-烷基，芳基，卤代芳基，烷氧基芳基或烷基芳基，或者R.sup.1和R.sup.2在一起是C.sub.2-C.sub.4-亚烷基基团，x为0或1，B为公式##STR3##的基团，n为1到20，m为0，1或2，R.sup.3为C.sub.1-C.sub.20-烷基，R.sup.4在每种情况下都是氢或C.sub.1-C.sub.20-烷基。这些化合物适用于作为漂白，氧化或消毒剂。
• 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。