1-(4-methylbenzyl)pyrrolidin-2-one | 60737-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-methylbenzyl)pyrrolidin-2-one
• 英文别名: 1-[(4-Methylphenyl)methyl]pyrrolidin-2-one
• CAS: 60737-71-5
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: GWYUSNIRBPSYRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-methylbenzyl)pyrrolidin-2-one 在 硫酸二甲酯 作用下， 以 乙醇 为溶剂， 反应 19.17h， 生成 (E)-1-(4-methylbenzyl)-2-(nitromethylene)pyrrolidine
  参考文献：
  名称：

  Intramolecular Cyclization of 1-Benzyl-2-(nitromethylene)pyrrolidines in Triflic Acid

  摘要：

  1-Benzyl-2-(nitromethylene)pyrrolidines in triflic acid undergo intramolecular cyclization to afford the corresponding 2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolinium triflates and/or 10-amino-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolinium triflates, depending on the nature of the aromatic substituent. Structures of products and reaction mechanisms are discussed.

  DOI：

  10.1080/00397911.2014.937501
• 作为产物：
  描述：

  在 正丁基锂 、 tetrakis(trifluoroacetato)rhodium(II) 、 水 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 11.0h， 生成 1-(4-methylbenzyl)pyrrolidin-2-one
  参考文献：
  名称：

  Rh-catalyzed intramolecular debenzylative cyclization of amines. Butyrolactams from benzylamines having a chloroacetylene moiety

  摘要：

  When benzylamines having a chloroacetylene moiety were heated in wet toluene with a catalytic amount of rhodium trifluoroacetate dimer, intramolecular debenzylative cyclization took place to give butyrolactams. This method is a new entry to selective debenzylation of amines. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.104

文献信息

• [EN] 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS<br/>[FR] DÉRIVÉS DE 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE ET COMPOSÉS ASSOCIÉS QUI SE FIXENT AU RÉCEPTEUR DE SPHINGOSINE-1-PHOSPHATE (S1P) DANS LE TRAITEMENT DE LA SCLÉROSE EN PLAQUES
  申请人：SERONO LAB

  公开号：WO2009019167A1

  公开（公告）日：2009-02-12

  The invention relates to compounds of formula (I): wherein X, W, Q, R, R1 and R2 have the meanings given in claim 1. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  这项发明涉及式(I)的化合物：其中X、W、Q、R、R1和R2的含义如权利要求1所述。该化合物在治疗自身免疫性疾病（如多发性硬化症）方面是有用的。
• [EN] 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS<br/>[FR] CARBOXAMIDES DE 3,7-DIAZABICYCLO[3.3.1]NONANE À TITRE D'AGENTS ANTITHROMBOTIQUES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2015044951A1

  公开（公告）日：2015-04-02

  The present invention relates to the 3,7-diazabicyclo[3.3.1]nonane carboxamides and process for preparation thereof. The present invention further relates to the compounds of general formula (1) possessing anti-thrombotic (anti-platelet) activities. The invention also relates to use of these moieties as inhibitors of collagen induced platelet adhesion and aggregation mediated through collagen receptors both in vitro and in vivo. Further, invention also relates these class of compounds exhibiting anti-platelet efficacy through dual mechanism inhibited both collagen as well as U46619 (thromboxane receptor agonist) induced platelet aggregation. General formula (1) Wherein, R' is; wherein R is selected from alkyl, acyl, tosyl, tert-butyloxycarbonyl, araalkyl or substituted araalkyl groups; R'' is selected preferably from halogen, cyano, lower alkyl, aryl, substituted aryl, and tosyl groups; R1 is selected from hydrogen and lower alkyl groups; R2 is selected from lower alkyl and aryl groups; R3 is selected from tert-butyloxycarbonyl and bezyloxycarbonyl groups; n = 0,1.

  本发明涉及3,7-二氮杂双环[3.3.1]壬烷羧酰胺及其制备方法。本发明还涉及具有抗血栓（抗血小板）活性的一般式（1）化合物。该发明还涉及将这些基团用作体外和体内介导的胶原受体抑制剂，抑制胶原诱导的血小板粘附和聚集。此外，该发明还涉及这类化合物通过双重机制表现出抗血小板功效，既抑制了胶原又抑制了U46619（血栓素受体激动剂）诱导的血小板聚集。一般式（1）中，其中，R'为；其中R选自烷基、酰基、对甲苯磺酰基、叔丁氧羰基、芳基烷基或取代芳基烷基；R''优选选自卤素、氰基、低烷基、芳基、取代芳基和对甲苯磺基；R1选自氢和低烷基；R2选自低烷基和芳基；R3选自叔丁氧羰基和苯甲氧羰基；n = 0,1。
• Iridium-Catalyzed Single-Step <i>N</i>-Substituted Lactam Synthesis from Lactones and Amines
  作者：Kicheol Kim、Soon Hyeok Hong

  DOI：10.1021/acs.joc.5b00101

  日期：2015.4.17

  Catalytic lactam synthesis was achieved directly from lactones and amines using an Ir catalyst. Three sequential transformations—aminolysis of lactone, N-alkylation of amine with hydroxyamide, and intramolecular transamidation of aminoamide—afforded the corresponding N-substituted lactams.

  使用Ir催化剂可直接由内酯和胺类催化合成内酰胺。三个连续的转化-内酯的氨基分解，胺与羟酰胺的N-烷基化以及氨基酰胺的分子内氨基转移-使相应的N-取代的内酰胺得到满足。
• [EN] SELECTIVE NR2B ANTAGONISTS<br/>[FR] ANTAGONISTES SÉLECTIFS DE NR2B
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017066366A1

  公开（公告）日：2017-04-20

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands of the NR2B receptor and may be useful for the treatment of various disorders of the central nervous system.

  该披露通常涉及到式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是NR2B受体的配体，可能对中枢神经系统的各种疾病的治疗有用。
• Novel carbapenem compound
  申请人：Sunagawa Makoto

  公开号：US20090029964A1

  公开（公告）日：2009-01-29

  An orally administrable antibacterial agent which contains as an active ingredient a carbapenem compound represented by the formula [1] below, wherein R 0 represents hydrogen atom or the like; R 1 represents C 1 -C 3 alkyl substituted by hydroxyl group or the like; R represents hydrogen atom or a group which regenerates a carboxyl group by hydrolysis in a living body; L represents a single bond, methylene, —OCH 2 (CO)— or the like; and Het represents a group represented by the following formula [2], wherein m and n independently represent 0 or 1; A and B independently represent methylene, carbonyl or the like; Y represents methylene, ethylene, oxygen atom, —OCH 2 —, —NR a CH 2 — (wherein R a represents hydrogen atom, optionally substituted C 1 -C 4 alkyl group or the like) or the like.

  一种口服抗菌剂，其活性成分为由下式[1]表示的碳青霉烯化合物，其中R0表示氢原子或类似物；R1表示C1-C3烷基，该烷基被羟基或类似物取代；R表示氢原子或通过水解在活体内再生羧基的基团；L表示单键，亚甲基，—OCH2（CO）—或类似物；Het表示由下式[2]表示的基团，其中m和n独立地表示0或1；A和B独立地表示亚甲基，羰基或类似物；Y表示亚甲基，乙烯基，氧原子，—OCH2—，—NRaCH2—（其中Ra表示氢原子，可选取代的C1-C4烷基或类似物）或类似物。