2-((iso-butoxycarbonyl)amino)-3-phenylpropanoic acid

• 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-((iso-butoxycarbonyl)amino)-3-phenylpropanoic acid
• 英文别名: 2-Isobutoxycarbonylamino-3-phenyl-propionic acid；2-(2-methylpropoxycarbonylamino)-3-phenylpropanoic acid
• 化学式: C₁₄H₁₉NO₄
• mdl: MFCD12445288
• 分子量: 265.309
• InChiKey: JWMXRYNGJIHYIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  histamine dichloride 、 2-((iso-butoxycarbonyl)amino)-3-phenylpropanoic acid 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of a targeted set of aromatic amino acid derivatives for identification of new lead compounds

  摘要：

  A targeted set of 256 aromatic alpha-amino acid derivatives is described to provide new lead compounds for biological screening. The utility is exemplified by identification of ligands for the human neuromedin B (hNMB) receptor, such as compound 3 (Ki hNMB 37 nM). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00346-6
• 作为产物：
  描述：

  DL-苯丙氨酸 、 氯甲酸异丁酯 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 2-((iso-butoxycarbonyl)amino)-3-phenylpropanoic acid
  参考文献：
  名称：

  Design and synthesis of a targeted set of aromatic amino acid derivatives for identification of new lead compounds

  摘要：

  A targeted set of 256 aromatic alpha-amino acid derivatives is described to provide new lead compounds for biological screening. The utility is exemplified by identification of ligands for the human neuromedin B (hNMB) receptor, such as compound 3 (Ki hNMB 37 nM). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00346-6

文献信息

• PROCESS FOR THE PREPARATION OF (S)-(+)- OR (R)-(-)-10-HYDROXY DIHYDRODIBENZ[B,F]AZEPINES BY ENANTIOSELECTIVE REDUCTION OF 10,11-DIHYDRO-10-OXO-5H-DIBENZ[B,F]AZEPINES AND POLYMORPHS THEREOF
  申请人：Biswas Sujay

  公开号：US20130345198A1

  公开（公告）日：2013-12-26

  The present invention provides a novel process for the preparation of substituted optically pure (S)-(+)- or (R)-(−)-10-hydroxy-dihydrodibenz[b,f]azepines or derivatives thereof, starting from 10,11-dihydro-10-oxo-5H-dibenz[b,f]azepines using boronate esters or their derivatives. The present invention also provides use of thus prepared (S)-(+)- or (R)-(−)-10-hydroxy-dihydrodibenz[b,f]azepines for the preparation of their ester such as (S)-(−)-10-acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide or (R)-(+)-10-acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide. The present invention also provides novel solid state crystalline forms J 1 , J 2 , J 3 , J 4 and amorphous form of eslicarbazepine and the process for the preparation thereof. Also, the present invention provides novel solid state crystalline form and amorphous form of eslicarbazepine acetate and the process for the preparation thereof. The novel solid state forms of eslicarbazepine are useful for the preparation of derivatives of eslicarbazepine such as eslicarbazepine acetate.

  本发明提供了一种新颖的方法，用于从10,11-二氢-10-氧代-5H-二苯并[b,f]氮杂环己烯起始，利用硼酸酯或其衍生物制备取代的光学纯(S)-(+)-或(R)-(-)-10-羟基-二氢二苯并[b,f]氮杂环己烯或其衍生物。本发明还提供了利用这样制备的(S)-(+)-或(R)-(-)-10-羟基-二氢二苯并[b,f]氮杂环己烯制备它们的酯，如(S)-(-)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环己烯-5-羧酰胺或(R)-(+)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环己烯-5-羧酰胺。本发明还提供了新颖的固态结晶形式J1、J2、J3、J4和eslicarbazepine的非晶态形式及其制备方法。此外，本发明提供了eslicarbazepine乙酸盐的新颖固态结晶形式和非晶态形式以及其制备方法。eslicarbazepine的新颖固态形式对于制备eslicarbazepine乙酸盐等eslicarbazepine的衍生物非常有用。
• [EN] PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST<br/>[FR] COMPOSÉS À BASE DE PURINE UTILISÉS EN TANT QU'ANTAGONISTE DU RÉCEPTEUR 9 DE TYPE TOLL
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2019092739A1

  公开（公告）日：2019-05-16

  The present invention provides novel purine based compounds of formula 1, method of preparation of purine based compounds and its composition useful for inhibiting signalling through Toll-like receptors. These compounds are useful in inhibiting immune stimulation involving toll –like receptor 9 (TLR9). These can be used in treatment of autoimmune disease and inflammation where aberrant activation of TLR9 plays role.

  本发明提供了一种新的嘌呤基化合物的公式1，制备嘌呤基化合物的方法以及其组合物，用于抑制通过Toll样受体的信号传导。这些化合物在抑制涉及Toll样受体9（TLR9）的免疫刺激中非常有用。它们可用于治疗自身免疫疾病和炎症，其中TLR9的异常激活发挥作用。
• [EN] PROCESS FOR THE PREPARATION OF (S)-(+)-OR (R)-(-)-10 HYDROXY DIHYDRODIBENZ[B,F]AZEPINES BY ENANTIOSELECTIVE REDUCTION OF 10, 11-DIHYDRO-10-OXO-5H-DIBENZ[B,F]AZEPINES AND POLYMORPHS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE (S)-(+)- OU (R)-(-)-10-HYDROXYDIHYDRODIBENZ[B,F]- AZÉPINES PAR RÉDUCTION ÉNANTIOSÉLECTIVE DE 10,11-DIHYDRO-10-OXO-5H- DIBENZ[B,F]AZÉPINES ET DE POLYMORPHES DE CELLES-CI
  申请人：JUBILANT LIFE SCIENCES LTD

  公开号：WO2012120356A2

  公开（公告）日：2012-09-13

  The present invention provides a novel process for the preparation of substituted optically pure (S)-(+)- or (R)-(-)-10-hydroxy-dihydrodibenz[b,f]azepines or derivatives thereof, starting from 10,11-dihydro-10-oxo-5H-dibenz[b,f]azepines using boronate esters or their derivatives. The present invention also provides use of thus prepared (S)-(+)- or (R)-(-)- 10-hydroxy-dihydrodibenz[b,f]azepines for the preparation of their ester such as (S)-(-)- 10-acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide, or (R)-(+)-10-acetoxy- 10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide. The present invention also provides novel solid state crystalline forms J1, J2, J3, J4 and amorphous form of eslicarbazepine and the process for the preparation thereof. Also, the present invention provides novel solid state crystalline form and amorphous form of eslicarbazepine acetate and the process for the preparation thereof. The novel solid state forms of eslicarbazepine are useful for the preparation of derivatives of eslicarbazepine such as eslicarbazepine acetate.

  本发明提供了一种新型的过程，用硼酸酯或其衍生物从10,11-二氢-10-氧代-5H-二苯并[b,f]氮杂环制备取代的光学纯(S)-(+)-或(R)-(-)-10-羟基-二氢-二苯并[b,f]氮杂环或其衍生物。本发明还提供了利用这样制备的(S)-(+)-或(R)-(-)-10-羟基-二氢-二苯并[b,f]氮杂环制备它们的酯，例如(S)-(-)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环-5-羧酰胺或(R)-(+)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环-5-羧酰胺。本发明还提供了新的固态晶体形式J1、J2、J3、J4和eslicarbazepine的非晶态形式及其制备过程。此外，本发明还提供了eslicarbazepine乙酸盐的新的固态晶体形式和非晶态形式及其制备过程。eslicarbazepine的新的固态形式对于制备eslicarbazepine乙酸盐等eslicarbazepine衍生物非常有用。
• Process for the preparation of (S)-(+)- or (R)-(-)-10-hydroxy dihydrodibenz[B,F]azepines by enantioselective reduction of 10,11-dihydro-10-OXO-5H-dibenz[B,F]azepines and polymorphs thereof
  申请人：Biswas Sujay

  公开号：US09346760B2

  公开（公告）日：2016-05-24

  The present invention provides a novel process for the preparation of substituted optically pure (S)-(+)- or (R)-(−)-10-hydroxy-dihydrodibenz[b,f]azepines or derivatives thereof, starting from 10,11-dihydro-10-oxo-5H-dibenz[b,f]azepines using boronate esters or their derivatives. The present invention also provides use of thus prepared (S)-(+)- or (R)-(−)-10-hydroxy-dihydrodibenz[b,f]azepines for the preparation of their ester such as (S)-(−)-10-acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide or (R)-(+)-10-acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide. The present invention also provides novel solid state crystalline forms J1, J2, J3, J4 and amorphous form of eslicarbazepine and the process for the preparation thereof. Also, the present invention provides novel solid state crystalline form and amorphous form of eslicarbazepine acetate and the process for the preparation thereof. The novel solid state forms of eslicarbazepine are useful for the preparation of derivatives of eslicarbazepine such as eslicarbazepine acetate.

  本发明提供了一种新型方法，利用硼酸酯或其衍生物从10,11-二氢-10-氧代-5H-二苯并[b,f]氮杂环制备取代的光学纯(S)-(+)-或(R)-(-)-10-羟基-二氢二苯并[b,f]氮杂环或其衍生物。本发明还提供了利用这样制备的(S)-(+)-或(R)-(-)-10-羟基-二氢二苯并[b,f]氮杂环制备它们的酯，如(S)-(-)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环-5-羧酰胺或(R)-(+)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环-5-羧酰胺。本发明还提供了新的固态晶体形式J1、J2、J3、J4和eslicarbazepine的非晶态形式及其制备方法。此外，本发明还提供了eslicarbazepine乙酸盐的新型固态晶体形式和非晶态形式及其制备方法。eslicarbazepine的新型固态形式对于制备eslicarbazepine乙酸盐等eslicarbazepine衍生物有用。
• PROCESS FOR THE PREPARATION OF (S)-(+)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ[b,f]AZEPINE-5-CARBOXAMIDE AND ESTERS THEREOF BY ENANTIOSELECTIVE REDUCTION OF 10,11-DIHYDRO-10-OXO-5H-DIBENZ[b,f]AZEPINE-5-CARBOXAMIDE
  申请人：Jubilant Life Sciences Limited

  公开号：EP2683691B1

  公开（公告）日：2018-06-06