(aS)-a-[[(1S)-1-羧基乙基]氨基]苯丁酸 1-乙酯盐酸盐

• 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
• 中文名称: (aS)-a-[[(1S)-1-羧基乙基]氨基]苯丁酸 1-乙酯盐酸盐
• 中文别名: (aS)-a-[[(1S)-1-羧乙基]氨基]-苯丁酸1-乙酯盐酸盐；(aS)-a-[[(1S)-1-羧基乙基]氨基]苯丁酸1-乙酯盐酸盐；(AS)-A-[[(1S)-1-羧乙基]氨基]-苯丁酸1-乙酯盐酸盐
• 英文名称: ethyl α-[(1-carboxyethyl)amino]benzenebutanoate
• 英文别名: N-[1(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanine；N-(1R-ethoxycarbonyl-3-phenylpropyl)-RS-alanine；N-[1(S)-carboethoxy-3-phenylpropyl]-(S)-alanine；ethyl-α-(1-carboxyethyl)amino-γ-phenylbutyrate；N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanine；N-(1(S)-carboethoxy-3-phenylpropyl)-(S)-alanine；2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)azaniumyl]propanoate
• 化学式: C₁₅H₂₁NO₄
• 分子量: 279.336
• InChiKey: CEIWXEQZZZHLDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (aS)-a-[[(1S)-1-羧基乙基]氨基]苯丁酸 1-乙酯盐酸盐 生成 (-)-N-[1-(R)-乙氧基碳二甲基苯基-3-苯基丙基]-L-丙氨酸
  参考文献：
  名称：

  HOEFLE, M. L.;KLUTCHKO, S.

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl-α-(1-carboxyethyl)amino-γ-oxo-γ-phenylbutyrate 在 palladium-carbon 作用下， 以 水 为溶剂， 生成 (aS)-a-[[(1S)-1-羧基乙基]氨基]苯丁酸 1-乙酯盐酸盐
  参考文献：
  名称：

  Process for preparing ethyl-alpha-amino-gamma-oxo-gamma-phenybutyrate

  摘要：

  乙基-β-苯甲基丙烯酸酯与(S)-丙氨酸的碱金属盐或N.sup.6-三氟乙酰-L-赖氨酸的碱金属盐反应，形成相应的迈克尔加成产物，完成迈克尔加成后添加不少于等量的酸以防止产物的(S,S)形式转化为(R,S)形式。

  公开号：

  US04925969A1

文献信息

• Process for preparing antihypertensive 1-substituted cyclic
  申请人：E. I. Du Pont de Nemours & Company

  公开号：US04439364A1

  公开（公告）日：1984-03-27

  Certain antihypertensive 1-substituted cyclic lactam-2-carboxylic acids and their derivatives are prepared by reacting an ester of the formula ##STR1## with a suitable derivative of the formula ##STR2##

  某些抗高血压的1-取代环内酰胺-2-羧酸及其衍生物是通过将公式为##STR1##的酯与公式为##STR2##的合适衍生物反应制备的。
• Substituted acyl derivatives of
  申请人：Warner-Lambert Company

  公开号：US04344949A1

  公开（公告）日：1982-08-17

  Substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids and the pharmaceutically acceptable salts thereof are produced by coupling a suitably substituted 1,2,3,4-tetrahydroisoquinoline with a suitably substituted amino acid and when desired hydrolyzing or removing protecting groups of the resulting product. The compounds of the invention, their salts and pharmaceutical compositions thereof are useful as antihypertensive agents.

  本发明涉及1,2,3,4-四氢异喹啉-3-羧酸的取代酰基衍生物及其药学上可接受的盐，其通过将适当取代的1,2,3,4-四氢异喹啉与适当取代的氨基酸偶联，并在需要时水解或去除产物的保护基而制得。本发明的化合物、其盐及药物组合物可用作降压剂。
• PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INHIBITORS AND THE USE THEREOF
  申请人：Porcs-Makkay Marta

  公开号：US20100286404A1

  公开（公告）日：2010-11-11

  The compounds of the general Formula (I), wherein R 1 is aryl or alkyl; R 2 represents alkyl; R 3 represents alkyl or aralkyl, are valuable pharmaceutical intermediates, which can be prepared by reacting a compound of the general Formula (IV) (wherein the definitions of R 1 and R 2 are as above), with at least 2 molar equivalents of the compound of the general Formula (VI) (wherein X represents halogen or tertiary butyloxycarbonyloxy group and R 3 is as defined above). The known compounds of the general Formula (II) (wherein R 1 and R 2 are as defined above) are prepared by reacting the compounds of the general Formula (I) with thionyl chloride. The compounds of the general Formula (I) are new intermediates useful in the synthesis of pharmaceutically active ingredients, particularly in the preparation of ACE-inhibitors, e.g. enalapril, perindopril or ramipril.

  通式（I）化合物中，R1为芳基或烷基；R2代表烷基；R3代表烷基或芳基烷基，是有价值的制药中间体。这些中间体可以通过将通式（IV）化合物（其中R1和R2的定义如上所述）与至少2摩尔当量的通式（VI）化合物（其中X代表卤素或叔丁氧羰氧基，R3如上所定义）反应而制备。通式（II）化合物（其中R1和R2如上所定义）是通过将通式（I）化合物与氯化硫酰反应制备而成。通式（I）化合物是在药物活性成分的合成中有用的新中间体，特别是在ACE抑制剂（例如依那普利、贝那普利或雷米普利）的制备中。
• PROCESS FOR THE SYNTHESIS OF (2S,3AR,7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL
  申请人：Chemburkar Sanjay R.

  公开号：US20110065930A1

  公开（公告）日：2011-03-17

  A process for the preparation of (2S,3aR,7aS)-octahydro-1H-indole-20carboxylic acid hydrochloride.

  一种制备（2S，3aR，7aS）-八氢-1H-吲哚-2-0-羧酸盐酸盐的方法。
• Substituted acyl derivatives of octahydro-1H-isoindole-1-carboxylic acids and esters
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0058567A1

  公开（公告）日：1982-08-25

  The invention provides substituted acyl derivatives of an octahydro-1H-isoindole-1-carboxylic acids and esters having the formula wherein R is hydrogen or lower alkyl, R1 is hydrogen, lower alkyl or benzyl, R2 is hydrogen or lower alkyl, Ar is phenyl or phenyl substituted with 1 or 2 substituents selected from fluorine, chlorine, bromine, lower alkyl, lower alkoxy, hydroxy or amino, m is 0 to 3, and X is two hydrogen atoms or one oxygen atom, wherein lower alkyl and lower alkoxy are straight or branched groups containing 1 to 4 carbon atoms, and the pharmaceutically acceptable basic salts thereof. The acids and esters, and their salts, are useful as antihypertensive agents.

  本发明提供了八氢-1H-异吲哚-1-羧酸的取代酰基衍生物和酯，其式为 其中R是氢或低级烷基，R1是氢、低级烷基或苄基，R2是氢或低级烷基，Ar是苯基或被1或2个选自氟、氯、溴、低级烷基、低级烷氧基、羟基或氨基的取代基取代的苯基，m是0至3，X是两个氢原子或一个氧原子，其中低级烷基和低级烷氧基是含有1至4个碳原子的直链或支链基团，以及它们的药学上可接受的碱式盐。这些酸和酯及其盐可用作降压药。

表征谱图