2-(乙氧基甲基)吡咯烷 | 883538-81-6

• 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: 2-(乙氧基甲基)吡咯烷
• 英文名称: 2-(ethoxymethyl)pyrrolidine
• 英文别名: 2-ethoxymethyl-pyrrolidin
• CAS: 883538-81-6
• 化学式: C₇H₁₅NO
• 分子量: 129.202
• InChiKey: FRXBWKFANYNBEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide 、 2-(乙氧基甲基)吡咯烷 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 N-[2-(3,5-二甲基吡唑-1-基)-6-(2-乙氧基甲基吡咯烷-1-基)嘧啶-4-基]乙酰胺
  参考文献：
  名称：

  N-[6-Amino-2-(heteroaryl)pyrimidin-4-yl]acetamides as A_2A Receptor Antagonists with Improved Drug Like Properties and in Vivo Efficacy

  摘要：

  In the present article, we report on a strategy to improve the physical properties of a series of small molecule human adenosine 2A (hA(2A)) antagonists. One of the aromatic rings typical of this series of antagonists is replaced with a series of aliphatic groups, with the aim of disrupting crystal packing of the molecule to lower the melting point and in turn to improve the solubility. Herein, we describe the SAR of a new series of water-soluble 2,4,6-trisubstituted pyrimidines where R-1 is an aromatic heterocycle, R-2 is a short-chain alkyl amide, and the typical R-3 aromatic heterocyclic substituent is replaced with an aliphatic amino substituent. This approach significantly enhanced aqueous solubility and lowered the log P of the system to provide molecules without significant hERG or CYP liabilities and robust in vivo efficacy.

  DOI：

  10.1021/jm800908d
• 作为试剂：
  描述：

  isopropenyllithium 、 甲基环戊烯醇酮 在 2-(乙氧基甲基)吡咯烷 、 4 A molecular sieve 、 copper(I) thiocyanate 作用下， 生成 (2R,3R)-3-Isopropenyl-2-methyl-cyclopentanone 、 <2R,3S>-3-Isopropenyl-2-methylcyclopentan-1-on 、 <2S,3R>-3-Isopropenyl-2-methylcyclopentan-1-on 、 (2R,3R)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one
  参考文献：
  名称：

  Enantioselective Conjugate Addition Greatly Improves the Synthesis of (+)-Confertin

  摘要：

  The five-membered ring building blocks 2+3 are enantioselectively produced by conjugate addition of a chiral ligand-modified organocuprate to 2-methylcyclopent-2-enone (1) (chemical yield: 88%; e.e.: 88%) and successfully converted in a multi-step sequence, after final enantioselection by recrystallization of an appropriate intermediate, into the pseudoguaianolide (+)-confertin (5).

  DOI：

  10.1016/s0040-4039(00)92665-0

文献信息

• [EN] ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS<br/>[FR] PYRAZOLES D'ARYLCYCLOHÉXYLE UTILISÉS EN TANT QUE RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017060855A1

  公开（公告）日：2017-04-13

  The present invention relates to arylcyclohexyl pyrazole compounds, methods of making them, pharmaceutical compositions containing them and their use as NRF2 regulators.

  这项发明涉及芳基环己基吡唑化合物，制备方法，含有它们的药物组合物以及它们作为NRF2调节剂的用途。
• Use of inhibitors of the EGFR-mediated signal transduction for the treatment of benign prostatic hyperplasia (BPH)/prostatic hypertrophy
  申请人：Boehringer Ingelheim Pharma GmbH & CO. KG

  公开号：US20030225079A1

  公开（公告）日：2003-12-04

  The present invention relates to the use of specific EGF-receptor antagonists for preparing a pharmaceutical composition for the prevention and/or treatment of benign prostatic hyperplasia and/or prostatic hypertrophy, a method for the treatment or prevention of benign prostatic hyperplasia/prostatic hypertrophy comprising administering an EGF-receptor antagonist of groups (A), (B) or (C), described herein optionally in combination with known compounds for the treatment of benign prostatic hyperplasia/prostatic hypertrophy, as well as associated pharmaceutical compositions.

  本发明涉及使用特定的EGF受体拮抗剂制备用于预防和/或治疗良性前列腺增生和/或前列腺肥大的药物组合物，一种治疗或预防良性前列腺增生/前列腺肥大的方法，包括在此处描述的(A)、(B)或(C)组的EGF受体拮抗剂的给药，可选择与已知的治疗良性前列腺增生/前列腺肥大的化合物联合使用，以及相关的药物组合物。
• Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them
  申请人：——

  公开号：US20020169180A1

  公开（公告）日：2002-11-14

  The present invention relates to bicyclic heterocycles of general formula 1 wherein R a to R c , A to E and X are defined as in claim 1, the tautomers, stereoisomers and salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases which have valuable pharmacological properties, in particular an inhibitory effect on signal transduction mediated by tyrosine kinases, their use in the treatment of diseases, especially tumoral diseases and diseases of the lungs and airways, and the preparation thereof.

  本发明涉及一般式1的双环杂环化合物，其中R为a到Rc，A到E和X如权利要求1所定义，其互变异构体、立体异构体和盐，特别是其与无机或有机酸或碱的生理可接受盐，具有有价值的药理学特性，特别是对由酪氨酸激酶介导的信号转导具有抑制作用，其在治疗疾病，特别是肿瘤性疾病和肺部和呼吸道疾病中的应用，以及其制备方法。
• [EN] SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE<br/>[FR] SÉPARATION D'ÉNANTIOMÈRES DE 3-ÉTHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE
  申请人：NOVASSAY SA

  公开号：WO2016146299A1

  公开（公告）日：2016-09-22

  A process to isolate a compound of Formula (2a) or a salt or solvate thereof, comprising a) reacting a mixture of diastereoisomers of Formulae (2a, 2b) with a basic heterocyclic-aldehyde compound and an optically active amine in the presence of a base; and b) separating the compound of Formula (2a) from the product of step a) by acid extraction. The compound of Formula (2a) may be produced with an enantiomeric excess of 98%. Compounds of Formula (2a) are useful intermediates in a process to prepare a bicyclic γ - amino tetrazole derivative of Formula (I) which finds utility in treating neuropathic pain and disorders of the central nervous system.

  一种分离化合物公式（2a）或其盐或溶剂化物的方法，包括a）在碱的存在下，将公式（2a，2b）的对映异构体混合物与一种碱性杂环醛化合物和一种手性活性胺反应；和b）通过酸提取从步骤a）的产物中分离出公式（2a）的化合物。公式（2a）的化合物可具有98％的对映体过量。公式（2a）的化合物是制备公式（I）的双环γ-氨基四唑衍生物的有用中间体，在治疗神经病理性疼痛和中枢神经系统障碍方面具有实用性。
• Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them
  申请人：Himmelsbach Frank

  公开号：US20070185091A1

  公开（公告）日：2007-08-09

  The present invention relates to bicyclic heterocycles of general formula wherein R a to R c , A to E and X are defined as in claim 1 , the tautomers, stereoisomers and salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases which have valuable pharmacological properties, in particular an inhibitory effect on signal transduction mediated by tyrosine kinases, their use in the treatment of diseases, especially tumoral diseases and diseases of the lungs and airways, and the preparation thereof.

  本发明涉及通式为的双环杂环化合物 其中Rato Rc，A到E和X的定义如权利要求书中所述，它们的互变异构体、立体异构体和与无机或有机酸或碱形成的生理上可接受的盐，具有有价值的药理学性质，特别是对酪氨酸激酶介导的信号传导具有抑制作用。本发明还涉及这些化合物在治疗疾病，特别是肿瘤性疾病和肺部和呼吸道疾病中的应用，以及它们的制备方法。