(3R,4R)-1-[(叔丁氧基)羰基]-4-(乙氧基羰基)吡咯烷-3-羧酸 | 595556-31-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: (3R,4R)-1-[(叔丁氧基)羰基]-4-(乙氧基羰基)吡咯烷-3-羧酸
• 英文名称: (R,R)-pyrrolidine-1,3,4-tricarboxylic acid 1-tert-butyl ester 3-ethyl ester
• 英文别名: 1-tert-butyl 3-ethyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate；(3R,4R)-pyrrolidine-1,3,4-tricarboxylic acid 1-tert.-butyl ester 3-ethyl ester；(3R,4R)-pyrrolidine-1,3,4-tricarboxylic acid-1-tert-butyl ester 3-ethyl ester；(3R,4R)-trans-N-Boc-pyrrolidine-3,4-dicarboxylic acid monoethyl ester；(3R,4R)-5-N-Boc-pyrrolidine-3,4-dicarboxylic acid monoethyl ester；trans-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid；(3R,4R)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• CAS: 595556-31-3
• 化学式: C₁₃H₂₁NO₆
• 分子量: 287.313
• InChiKey: BHOJIKSQYLVZHD-IUCAKERBSA-N

物化性质

• 沸点：
  405.4±45.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3R,4R)-1-[(叔丁氧基)羰基]-4-(乙氧基羰基)吡咯烷-3-羧酸 在 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 (3R,4R)-4-[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)phenylcarbamoyl]pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
  参考文献：
  名称：

  WO2008/138754

  摘要：

  公开号：
• 作为产物：
  描述：

  富马酸二乙酯 在 palladium on activated charcoal sodium hydroxide 、 Lipase OF 、 hydrolase ESP-ESL 1199 、 氢气 、 sodium chloride 作用下， 以 phosphate buffer 、 乙醇 、 甲苯 为溶剂， 反应 45.5h， 生成 (3R,4R)-1-[(叔丁氧基)羰基]-4-(乙氧基羰基)吡咯烷-3-羧酸
  参考文献：
  名称：

  Chemoenzymatic preparation of non-racemic N-Boc-pyrrolidine-3,4-dicarboxylic acid 3-ethyl esters and their 4-hydroxymethyl derivatives

  摘要：

  For the synthesis of metalloproteinase inhibitors the (R,R)- and (S,S)-monoethyl esters of N-Boe-pyrrolidine-3,4-dicarboxylic acid were prepared as key intermediates from the trans-diester racemate by two consecutive, highly selective enzymatic reactions. Reduction of the formed acids to the corresponding enantiopure hydroxymethyl derivatives ((R,R)- and (S,S)-ethyl N-Boc-4-hydroxymethyl-3-carboxylate) gives access to a new series of chiral building blocks. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00284-2

文献信息

• [EN] NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE PYRROLIDINE-3,4-DICARBOXAMIDE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005092881A1

  公开（公告）日：2005-10-06

  The invention is concerned with novel pyrrolidine-3,4-dicarboxamide derivatives of Formula (I) ; wherein Rl to R9 and X are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit the coagulation factor Xa and can be used as medicaments.

  这项发明涉及一种新型的 Formula (I) 中的吡咯烷-3,4-二羧酰胺衍生物；其中 R1 到 R9 和 X 如描述和索赔中定义的那样，以及其生理上可接受的盐。这些化合物抑制凝血因子 Xa，可用作药物。
• TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF
  申请人：JAPAN TOBACCO INC.

  公开号：US20160137639A1

  公开（公告）日：2016-05-19

  A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.

  由式[I]表示的化合物： 或其药学上可接受的盐，其中每个符号如描述中所定义。
• Cyclic amines
  申请人：Zbinden Groebke Katrin

  公开号：US20060247238A1

  公开（公告）日：2006-11-02

  The invention is concerned with cyclic amines of formula (I) wherein X 1 to X 3 , Y 1 to Y 3 , R 1′ , R 1″ and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit coagulation factor Xa and can be used as medicaments and for treating diseases associated with coagulation factor Xa.

  这项发明涉及公式(I)中的环氨基化合物，其中X1至X3，Y1至Y3，R1'，R1"和n如描述和索赔中定义的那样，以及其生理上可接受的盐。这些化合物抑制凝血因子Xa，并可用作药物治疗与凝血因子Xa相关的疾病。
• Pyrrolidine-3,4-dicarboxamide derivatives
  申请人：Anselm Lilli

  公开号：US20050215599A1

  公开（公告）日：2005-09-29

  The invention is concerned with novel pyrrolidine-3,4-dicarboxamide derivatives of formula (I) wherein R 1 to R 9 and X are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit the coagulation factor Xa and can be used as medicaments

  该发明涉及式(I)的新型吡咯烷-3,4-二羧酰胺衍生物，其中R1至R9和X在说明书和权利要求书中定义，以及其生理上可接受的盐。这些化合物抑制凝血因子Xa，并可用作药物。
• PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE
  申请人：Adam Jean-Michel

  公开号：US20080214826A1

  公开（公告）日：2008-09-04

  The invention is concerned with processes for the manufacture of the pyrrolidine-3,4-dicarboxamide derivative of formula (I), and the intermediates useful for those processes of manufacture.

  该发明涉及制造式(I)的吡咯烷-3,4-二羧酰胺衍生物的工艺，以及用于这些制造工艺的中间体。