(S)-α-benzylaspartic acid | 113890-23-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (S)-α-benzylaspartic acid
• 英文别名: (2S)-2-amino-2-benzylbutanedioic acid
• CAS: 113890-23-6
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: MZXXZRXHRCNTIC-NSHDSACASA-N

物化性质

• 沸点：
  353.1±42.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  L-苯丙氨酸 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 、 氢溴酸 为溶剂， 反应 7.0h， 生成 (S)-α-benzylaspartic acid
  参考文献：
  名称：

  α-Alkylation of acyclic amino acids with self-reproduction of the Center of Chirality. A new route to (S)-(+)-α-alkylated aspartic acids.

  摘要：

  DOI：

  10.1016/s0040-4039(00)96091-x

文献信息

• Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same
  申请人：Kobayashi Nobuo

  公开号：US20090137799A1

  公开（公告）日：2009-05-28

  Cycloalkylcarbonylamino acid ester derivatives, which are raw material intermediates for a novel cycloalkane carboxamide derivative having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid ester derivative represented by formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R 1 and R 2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups, etc., R 8 represents an alkyl group having 1 to 6 carbon atoms, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  环烷基羰基氨基酸酯衍生物是一种新型环烷烃羧酰胺衍生物的原料中间体，具有选择性抑制卡特普辛K的作用，提供其生产工艺。 表示为式（I）的环烷基羰基氨基酸酯衍生物，或其药学上可接受的盐： （其中，R1和R2代表烷基、烯基、炔基、芳香烃基、杂环基等，R8代表具有1至6个碳原子的烷基，环A代表具有5、6或7个碳原子的环烷基亚基）。
• Transition metal initiators for controlled poly (beta-peptide) synthesis from beta-lactam monomers
  申请人：——

  公开号：US20030083460A1

  公开（公告）日：2003-05-01

  A series of initiators based on transition metal complexes for the polymerization of optically active beta-lactams into poly-beta-peptides and block copolymers have been developed. These initiators are unique in being able to eliminate chain transfer and chain termination side reactions from these polymerizations resulting in narrow molecular weight distributions, molecular weight control, and the ability to prepare copolymers of defined block sequence and composition.

  一系列基于过渡金属配合物的引发剂已经被开发用于将光学活性β-内酰胺聚合成聚β-肽和嵌段共聚物。这些引发剂独特之处在于能够消除这些聚合反应中的链转移和链终止副反应，从而导致分子量分布狭窄、分子量控制以及制备定义的嵌段序列和组成的共聚物的能力。
• Cycloalkane Carboxamide Derivatives and Production Process of Same
  申请人：Kobayashi Nobuo

  公开号：US20090156805A1

  公开（公告）日：2009-06-18

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkane carboxamide derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein R 1 and R 2 represent (substituted) alkyl groups, (substituted) alkenyl groups, (substituted) alkynyl groups, (substituted) aromatic hydrocarbon groups or (substituted) heterocyclic groups, ring A represents an alkylidene group having 5 to 7 carbon atoms, and ring B represents a formyl group or a hydroxymethyl group).

  本发明提供了一种具有选择性抑制蛋白酶K的作用的新型环烷基羧酰胺衍生物及其生产工艺。其中，所述环烷基羧酰胺衍生物由下述通式（I）表示，或其药学上可接受的盐所表示（其中，R1和R2代表（取代）烷基、（取代）烯基、（取代）炔基、（取代）芳香族碳氢基或（取代）杂环基，环A表示具有5至7个碳原子的烷基亚基，环B表示甲酰基或羟甲基）。
• CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1972615A1

  公开（公告）日：2008-09-24

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkane carboxamide derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein R1 and R2 represent (substituted) alkyl groups, (substituted) alkenyl groups, (substituted) alkynyl groups, (substituted) aromatic hydrocarbon groups or (substituted) heterocyclic groups, ring A represents an alkylidene group having 5 to 7 carbon atoms, and ring B represents a formyl group or a hydroxymethyl group).

  本发明提供了具有选择性抑制 cathepsin K 作用的新型环烷烃羧酰胺衍生物及其生产工艺。 由以下通式(I)代表的环烷烃羧酰胺衍生物或其药学上可接受的盐： (其中R1和R2代表（取代的）烷基、（取代的）烯基、（取代的）炔基、（取代的）芳香烃基团或（取代的）杂环基团，环A代表具有5至7个碳原子的亚烷基，环B代表甲酰基或羟甲基）。
• CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME
  申请人：SEIKAGAKU CORPORATION

  公开号：EP2036920A1

  公开（公告）日：2009-03-18

  Cycloalkylcarbonylamino acid ester derivatives, which are raw material intermediates for a novel cycloalkane carboxamide derivative having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid ester derivative represented by formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R1 and R2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups, etc., R8 represents an alkyl group having 1 to 6 carbon atoms, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  本发明提供了环烷基羰基氨基酸酯衍生物，它是一种新型环烷羧酰胺衍生物的原料中间体，该衍生物具有选择性抑制凝血酶 K 的作用，并提供了其生产工艺。 一种由式（I）代表的环烷基羰基氨基甲酸酯衍生物，或其药学上可接受的盐： (其中，R1 和 R2 代表烷基、烯基、炔基、芳香烃基、杂环基等，R8 代表具有 1 至 6 个碳原子的烷基，环 A 代表具有 5、6 或 7 个碳原子的环亚烷基）。