L-2-amino-3,3-bis(4-fluorophenyl)propanoic acid | 481055-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: L-2-amino-3,3-bis(4-fluorophenyl)propanoic acid
• 英文别名: (2S)-2-amino-3,3-bis(4-fluorophenyl) propanoic acid；(S)-2-Amino-3,3-bis(4-fluorophenyl)propanoic acid；(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoic acid
• CAS: 481055-28-1
• 化学式: C₁₅H₁₃F₂NO₂
• 分子量: 277.271
• InChiKey: WQUNIOUMWBRBNU-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  L-2-amino-3,3-bis(4-fluorophenyl)propanoic acid 以95的产率得到3,3-Bis(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  参考文献：
  名称：

  [EN] (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF
  [FR] SEL D'ACIDE (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-1-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIQUE, ET CERTAINES DE SES FORMES CRRISTALLINES ANHYDRES

  摘要：

  本发明涉及(2S,4S)-4-氟-1-[4-氟-β-(4-氟苯基)-L-苯丙氨基]-2-吡咯烷碳腈对甲苯磺酸盐的无水晶型。

  公开号：

  WO2005009956A1
• 作为产物：
  描述：

  (2S)-2-azido-3,3-bis(4-fluorophenyl) propanoic acid 以95的产率得到L-2-amino-3,3-bis(4-fluorophenyl)propanoic acid
  参考文献：
  名称：

  [EN] (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF
  [FR] SEL D'ACIDE (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-1-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIQUE, ET CERTAINES DE SES FORMES CRRISTALLINES ANHYDRES

  摘要：

  本发明涉及(2S,4S)-4-氟-1-[4-氟-β-(4-氟苯基)-L-苯丙氨基]-2-吡咯烷碳腈对甲苯磺酸盐的无水晶型。

  公开号：

  WO2005009956A1

文献信息

• Production method of optically active diphenylalanine compounds
  申请人：Ajinomoto Co., Inc.

  公开号：EP1724253A3

  公开（公告）日：2009-11-04

  The present invention provides a production method including reacting a diphenylmethylene halide compound represented by the following formula (1) with a malonic acid diester compound represented by the following formula (2) in an organic solvent selected from N-methyl-2-pyrrolidone, N-ethyl-2-pyrrolidone and N,N-dimethylformamide, in the presence of a base selected from an alkali metal hydride and an alkali metal t-butoxide to give a diester compound represented by the following formula (3), and then subjecting the diester compound to hydrolysis and decarboxylation to give a diphenylalanine compound represented by the following formula (4). According to the present invention, diphenylalanine compound (4) can be obtained industrially advantageously in a high yield. wherein each symbol is as defined in the specification.

  本发明提供了一种生产方法，包括在选自N-甲基-2-吡咯烷酮、N-乙基-2-吡咯烷酮和N,N-二甲基甲酰胺的有机溶剂中，在选择自碱金属氢化物和碱金属叔丁醇盐的碱的存在下，将以下式（1）所表示的二苯甲基卤化物化合物与以下式（2）所表示的丙二酸二酯化合物反应，得到以下式（3）所表示的二酯化合物，然后将二酯化合物进行水解和脱羧，得到以下式（4）所表示的二苯丙氨酸化合物。根据本发明，可以在高收率下工业上优势地获得二苯丙氨酸化合物（4）。其中，每个符号如规范中所定义。
• Production method of optically active dephenylalanine compounds
  申请人：Hamada Takayuki

  公开号：US20070032658A1

  公开（公告）日：2007-02-08

  Optically active diphenylalanine compounds may be conveniently prepared in a good yield by reacting a diphenylalanine compound represented by formula (1) with an optically active amine compound represented by formula (2) in the presence of an organic solvent to give a diastereomeric salt represented by formula (5) and then treating the diastereomeric salt under acidic conditions to give an optically active diphenylalanine compound represented by formula (3): wherein each symbol is as defined in the specification.

  光学活性的双苯丙氨酸化合物可通过在有机溶剂存在下，将式（1）表示的双苯丙氨酸化合物与式（2）表示的光学活性胺基化合物反应，得到式（5）表示的对映异构盐，然后在酸性条件下处理对映异构盐，得到式（3）表示的光学活性双苯丙氨酸化合物。其中，每个符号如规范中定义。
• Production method of diphenylalanine - NI(II) complex
  申请人：Ajinomoto Co., Inc.

  公开号：EP1918275A1

  公开（公告）日：2008-05-07

  The present invention relates to a production method of a compound represented by the formula (3), which includes reacting a compound represented by the formula (2) with a diphenylmethyl halide compound represented by the formula (1) in the presence of alkali metal alkoxide. According to the method of the present invention, compound (3) can be produced at a high purity and in a high yield. wherein each symbol is as defined in the specification, *1 and *2 each show an asymmetric carbon atom, and the configuration of the asymmetric carbon atom of *1 and *2 is (S,S) or (R,R).

  本发明涉及一种化合物的生产方法，该化合物由式（3）表示，包括在碱金属烷氧化物存在下，将式（2）表示的化合物与式（1）表示的二苯基甲基卤化物化合物反应。根据本发明的方法，可以高纯度且高产率地生产化合物（3）。其中每个符号如规范中定义，*1和*2各表示一个不对称碳原子，不对称碳原子*1和*2的构型为（S，S）或（R，R）。
• Fluoropyrrolidines as dipeptidyl peptidase inhibitors
  申请人：——

  公开号：US20040171848A1

  公开（公告）日：2004-09-02

  The present invention relates to novel compounds, their use for inhibiting serine proteases, such as dipeptidyl peptidases, such as dipeptidyl peptidase IV (DPP-IV) and to methods for their production and their therapeutic utility.

  本发明涉及新型化合物，其用于抑制丝氨酸蛋白酶，例如二肽基肽酶，例如二肽基肽酶IV（DPP-IV），以及其生产方法和治疗效用。
• (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof
  申请人：Igo H David

  公开号：US20070066677A1

  公开（公告）日：2007-03-22

  The present invention includes anhydrous crystalline forms of (2S,4S)-4-fluoro-1-[4-fluoro-β-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt.

  本发明涉及(2S,4S)-4-氟-1-[4-氟-β-(4-氟苯基)-L-苯丙氨基]-2-吡咯烷基氰酸盐的无水晶型态，其为对甲苯磺酸盐。