N-methoxy-3-bromopyrrolidin-2-one | 110027-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-methoxy-3-bromopyrrolidin-2-one
• 英文别名: N-methoxy-3-bromo-2-pyrrolidone；N-methoxy-2-bromo-4-butyrolactam；3-Bromo-1-methoxypyrrolidin-2-one
• CAS: 110027-11-7
• 化学式: C₅H₈BrNO₂
• 分子量: 194.028
• InChiKey: ZIGBEYWHKOXLDB-UHFFFAOYSA-N

物化性质

• 沸点：
  198.8±50.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933790090

反应信息

• 作为反应物：
  描述：

  N-methoxy-3-bromopyrrolidin-2-one 生成 磷,(1-甲氧基-2-羰基-3-吡咯烷基)三苯基-,溴化
  参考文献：
  名称：

  J. Med. Chem. 1987, 30, 1995-1998

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二溴丁酰氯 生成 N-methoxy-3-bromopyrrolidin-2-one
  参考文献：
  名称：

  J. Med. Chem. 1987, 30, 1995-1998

  摘要：

  DOI：

文献信息

• Synthesis and antiinflammatory activities of 3-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones
  作者：H. Ikuta、H. Shirota、S. Kobayashi、Y. Yamagishi、K. Yamada、I. Yamatsu、K. Katayama

  DOI：10.1021/jm00394a011

  日期：1987.11

  5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones was synthesized and evaluated as candidate antiinflammatory/analgesic agents as well as dual inhibitors of prostaglandin and leukotriene synthesis. Some compounds that showed dual inhibitory activity were found to possess equipotent antiinflammatory activities to indomethacin, with reduced ulcerogenic effects. One of the compounds, N-methoxy-3-(3,5-d

  合成了一系列3-（3,5-二叔丁基-4-羟基亚苄基）吡咯烷酮-2-酮，并作为候选抗炎/止痛药以及前列腺素和白三烯合成的双重抑制剂进行了评估。发现某些具有双重抑制活性的化合物具有与消炎痛同等的抗炎活性，并具有降低的致溃疡作用。发现其中一种化合物N-甲氧基-3-（3,5-二叔丁基-4-羟基苄叉基）吡咯烷-2--2-烯比吲哚美辛或吡罗昔康具有更宽的安全系数，因此被选择用于详细评估为临床应用的候选药物。
• 3-(3,5-di-tert-butyl-4-hydroxy benzylidene)-2-pyrrolidone and
  申请人：Eisai Co., Ltd.

  公开号：US04833160A1

  公开（公告）日：1989-05-23

  3-(3,5-di-tert-butyl-4-hydroxy-benzylidene)-2-pyrrolidone and N-substituted derivatives thereof are described. The substituent includes alkyl, alkoxy, alkynyl phenyl-alkylene, hydroxy-alkylene and amino-alkylene. They are effective as an anti-inflammatory, analgesic and antithermic agent, and they have a low toxicity.

  描述了3-(3,5-二叔丁基-4-羟基苯基亚苄)-2-吡咯酮及其N-取代衍生物。取代基包括烷基、烷氧基、炔基苯基-烷基、羟基-烷基和氨基-烷基。它们作为抗炎、镇痛和退热剂具有良好效果，并且毒性低。
• 5-hydroxy-2-pyrimidinylmethylene derivatives useful as antiinflammatory
  申请人：Warner-Lambert Company

  公开号：US05270319A1

  公开（公告）日：1993-12-14

  The present invention is novel compounds which are 5-hydroxy-2-pyrimidinylmethylene derivatives and pharmaceutically acceptable addition salts, bases, and base salts thereof, pharmaceutical compositions and methods of use therefor. The invention compounds are found to have activity as inhibitors of 5-lipoxygenase and/or cyclooxygenase providing treatment of, for example, preferably inflammation.

  本发明涉及一种新型化合物，其为5-羟基-2-嘧啶甲醛衍生物及其药学上可接受的加成盐、碱和碱盐、制药组合物和使用方法。本发明化合物被发现具有抑制5-脂氧合酶和/或环氧化酶的活性，可用于治疗例如炎症等病症。
• Production method of heterocyclic mercapto compound
  申请人：Showa Denko K.K.

  公开号：US07902383B2

  公开（公告）日：2011-03-08

  A method of the invention industrially produces heterocyclic mercapto compounds useful as raw materials or intermediates in the synthesis of medicaments or pesticides, or as permanent wave agent, with a high yield and high productivity using easily available starting materials. A heterocyclic mercapto compound represented by Formula (1) (wherein X represents any structure of —O—, —S—, —NH—, and —NR1—; R1 represents any of an alkyl group, alkoxy group and alkoxyalkyl group each having 1 to 6 carbon atoms; Y represents an oxygen atom, a sulfur atom or —NR2—; R2 represents a hydrogen atom or alkyl group having 1 to 6 carbon atoms; and Z1 represents a divalent organic residue having at least one mercapto group) is produced by reacting a metal sulfide or a metal hydrosulfide with a compound represented by Formula (2) (wherein X and Y are as defined in Formula (1); and Z2 represents a divalent organic residue having at least one halogen group) in the presence of a solvent at a pH of 7.0 to 11.0.

  本发明提供了一种工业生产杂环巯基化合物的方法，该化合物可用作制药或农药的原料或中间体，或作为永久波浪剂，使用易得的起始材料，高产率和高生产率。通过在溶剂存在下，在pH值为7.0至11.0的条件下，将金属硫化物或金属氢硫化物与式（2）所表示的化合物（其中X和Y如式（1）中定义；Z2表示具有至少一个卤素基团的二价有机残基）反应，从而制备出式（1）所表示的杂环巯基化合物（其中X表示-O-，-S-，-NH-和-NR1-的任何结构；R1表示具有1至6个碳原子的烷基，烷氧基和烷氧基烷基之一；Y表示氧原子，硫原子或-NR2-；R2表示氢原子或具有1至6个碳原子的烷基；Z1表示具有至少一个巯基的二价有机残基）。
• PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND
  申请人：Yorozuya Shinichi

  公开号：US20090171095A1

  公开（公告）日：2009-07-02

  A method of the invention industrially produces heterocyclic mercapto compounds useful as raw materials or intermediates in the synthesis of medicaments or pesticides, or as permanent wave agent, with a high yield and high productivity using easily available starting materials. A heterocyclic mercapto compound represented by Formula (1) (wherein X represents any structure of —O—, —S—, —NH—, and —NR 1 —; R 1 represents any of an alkyl group, alkoxy group and alkoxyalkyl group each having 1 to 6 carbon atoms; Y represents an oxygen atom, a sulfur atom or —NR 2 —; R 2 represents a hydrogen atom or alkyl group having 1 to 6 carbon atoms; and Z 1 represents a divalent organic residue having at least one mercapto group) is produced by reacting a metal sulfide or a metal hydrosulfide with a compound represented by Formula (2) (wherein X and Y are as defined in Formula (1); and Z 2 represents a divalent organic residue having at least one halogen group) in the presence of a solvent at a pH of 7.0 to 11.0.

  本发明提供了一种工业生产杂环硫醇化合物的方法，该化合物可用作合成药物或杀虫剂的原材料或中间体，或用作永久波发剂，使用易得的起始材料高产高效。通过在溶剂存在下，在pH为7.0至11.0的条件下，将金属硫化物或金属氢硫化物与化合物（式2）（其中X和Y如式（1）中定义，Z2表示至少具有一个卤素基团的二价有机残基）反应，从而制备出由式（1）所代表的杂环硫醇化合物（其中X表示-O-，-S-，-NH-和-NR1-的任何结构；R1表示具有1至6个碳原子的烷基，烷氧基和烷氧基烷基中的任何一种；Y表示氧原子，硫原子或-NR2-；R2表示具有1至6个碳原子的氢原子或烷基；Z1表示至少具有一个硫醇基团的二价有机残基）。