trans-(1R,2R)-cyclopentane-1-carboxylic acid methyl ester 2-carboxylic acid | 111138-68-2

• 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: trans-(1R,2R)-cyclopentane-1-carboxylic acid methyl ester 2-carboxylic acid
• 英文别名: (1R,2R)-2-methoxycarbonylcyclopentane-1-carboxylic acid；(1R,2R)-2-(methoxycarbonyl)cyclopentanecarboxylic acid；trans-1-Methoxycarbonyl-2-carboxy-cyclopentan；trans-2-Carbomethoxycyclopentane-1-carboxylic acid
• CAS: 111138-68-2
• 化学式: C₈H₁₂O₄
• 分子量: 172.181
• InChiKey: KYGFHAUBFNTXFK-PHDIDXHHSA-N

物化性质

• 沸点：
  115 °C(Press: 12 Torr)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  trans-(1R,2R)-cyclopentane-1-carboxylic acid methyl ester 2-carboxylic acid 在 sodium hydroxide 、 草酰氯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 (1R,2R)-2-[2'-hydroxy-1'-(R)-phenylethylcarbamoyl]-cyclopentane-1-carboxylic acid
  参考文献：
  名称：

  Asymmetric synthesis of chiral bisoxazolines and their use as ligands in metal catalysis

  摘要：

  Novel C-2- and C-1-symmetric chiral bisoxazolines with a cyclic backbone have been synthesized in an asymmetric manner starting from ineso anhydrides. All synthetic steps are easy to perform and lead to the desired products in good overall yields. Preliminary investigations revealed the applicability of these new compounds as ligands in transfer hydrogenations and various metal-catalyzed enantioselective C-C-bond forming reactions such as cyclopropanations and Diels-Alder reactions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.12.036
• 作为产物：
  描述：

  (1R,2S)-cis-2-methoxycarbonyl-cyclopentane-1-carboxylic acid 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以81%的产率得到trans-(1R,2R)-cyclopentane-1-carboxylic acid methyl ester 2-carboxylic acid
  参考文献：
  名称：

  [EN] NOVEL HEPATITIS C VIRUS INHIBITORS
  [FR] NOUVEAUX INHIBITEURS DU VIRUS DE L'HÉPATITE C

  摘要：

  本发明提供了式(I)的化合物：其中环A和A'独立地是5个成员的可选取代的芳香杂环；Q是C(=O)NR1R1'或式U是C(R4)2，O，S，S(=O)2，C(R4)2C(R4)2，CH2O，OCH2，CH2S，SCH2，CH2S(=O)2，S(=O)CH2或C=C(Ru)2；X是CH2，CHR12，CR12R12，O，S，S(=O)2或NRx；m是0，1，2或3；n是0，1，2或3；其他变量如权利要求中所定义，用于治疗或预防丙型肝炎病毒感染，以及相关方面。

  公开号：

  WO2013095275A1

文献信息

• N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS
  申请人：Schmitz Ulrich Franz

  公开号：US20070265265A1

  公开（公告）日：2007-11-15

  Disclosed are compounds having Formula (I) and the compositions and methods thereof for treating or preventing a viral infection mediated at least in part by a virus in the Flaviviridae family of viruses, wherein A, R 2 , m, R, V, W, T, Z, R 1 , Y, and p are disclosed herein.

  揭示了具有Formula (I)的化合物，以及用于治疗或预防由Flaviviridae病毒家族中的病毒至少部分介导的病毒感染的组合物和方法，其中A、R2、m、R、V、W、T、Z、R1、Y和p在此处被揭示。
• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS
  申请人：Yun Weiya

  公开号：US20110118314A1

  公开（公告）日：2011-05-19

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  本文提供了以下式(I)的化合物： 以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗代谢性疾病和紊乱，例如II型糖尿病等，是有用的。
• [EN] NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS<br/>[FR] NOUVEAUX COMPOSÉS POUR LE TRAITEMENT DE TROUBLES DU SNC
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011018495A1

  公开（公告）日：2011-02-17

  The invention relates to novel pyrazolopyrimidinones according to formula (I). The new compounds shall be used for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease. Further aspects of the present invention refer to a process for the manufacture of the compounds and their use for producing medicaments.

  该发明涉及根据式(I)的新型吡唑吡嘧啶酮。新化合物应用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷相关疾病的药物。新化合物还用于制造治疗阿尔茨海默病的药物。本发明的进一步方面涉及制造这些化合物的方法以及它们用于制造药物的用途。