2-(1-吡咯烷基甲基)苯甲醛 | 625079-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(1-吡咯烷基甲基)苯甲醛
• 英文名称: 2-(pyrrolidin-1-ylmethyl)benzaldehyde
• CAS: 625079-74-5
• 化学式: C₁₂H₁₅NO
• mdl: MFCD07782419
• 分子量: 189.257
• InChiKey: VGBAYVFYNVGALQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 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：

  2-(1-吡咯烷基甲基)苯甲醛 在 四丁基氟化铵 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 1-[2-(2,2,2-trifluoro-1-methoxyethyl)benzyl]pyrrolidine
  参考文献：
  名称：

  O-Nucleophilic Amino Alcohol Acyl-Transfer Catalysts:  the Effect of Acidity of the Hydroxyl Group on the Activity of the Catalyst

  摘要：

  [GRAPHIC]Amino alcohol-derived acyl-transfer catalysts are shown to operate by an O-nucleophilic mechanism, and catalysts bearing electron-withdrawing groups in proximity to the hydroxyl group are found to be more active. This is attributed to an increase in the acidity of the hydroxyl group of the catalyst.

  DOI：

  10.1021/ol035510n
• 作为产物：
  描述：

  1-(2-溴苄基)吡咯烷 、 N,N-二甲基甲酰胺 在 叔丁基锂 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以86%的产率得到2-(1-吡咯烷基甲基)苯甲醛
  参考文献：
  名称：

  O-Nucleophilic Amino Alcohol Acyl-Transfer Catalysts:  the Effect of Acidity of the Hydroxyl Group on the Activity of the Catalyst

  摘要：

  [GRAPHIC]Amino alcohol-derived acyl-transfer catalysts are shown to operate by an O-nucleophilic mechanism, and catalysts bearing electron-withdrawing groups in proximity to the hydroxyl group are found to be more active. This is attributed to an increase in the acidity of the hydroxyl group of the catalyst.

  DOI：

  10.1021/ol035510n

文献信息

• [EN] IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST<br/>[FR] DÉRIVÉS D'IMIDAZO[2,1-F] [1, 2, 4] TRIAZIN-4-AMINE UTILISÉS EN TANT QU'AGONISTES DE TLR7
  申请人：BEIGENE LTD

  公开号：WO2020160711A1

  公开（公告）日：2020-08-13

  Disclosed herein is an imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof useful as a TLR7 agonist, and a pharmaceutical composition comprising the same. Also disclosed herein is a method of treating cancer using the imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof as TLR7 agonist.

  披露的是一种咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐，用作TLR7激动剂，以及包含该化合物的药物组合物。还披露了一种使用咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐作为TLR7激动剂来治疗癌症的方法。
• The homologous tert-amino effect: a route to fused 2-benzazepine derivatives
  作者：Alexander P. Gorulya、Anton V. Tverdokhlebov、Andrey A. Tolmachev、Oleg V. Shishkin、Svetlana V. Shishkina

  DOI：10.1016/j.tet.2010.11.101

  日期：2011.2

  2-Cyano- and 2-carbethoxy-3-[2-(pyrrolidin-1-ylmethyl)phenyl]acrylonitriles were prepared through either amination of appropriate 3-[2-(bromomethyl)phenyl]acrylonitriles with pyrrolidine or condensation of 2-(pyrrolidin-1-ylmethyl)benzaldehyde with malononitrile and ethyl cyanoacetate. These acrylonitrile derivatives were shown to undergo easy mutual interconversion with 1-(pyrrolidin-1-yl)indane-2-carbonitriles

  通过用吡咯烷胺胺化适当的3- [2-（溴甲基）苯基]丙烯腈或2-（缩合）缩合制备2-氰基和2-乙氧基-3- [2-（吡咯烷-1-基甲基）苯基]丙烯腈。吡咯烷-1-基甲基）苯甲醛与丙二腈和氰基乙酸乙酯。这些丙烯腈衍生物显示出与由溶剂极性驱动的1-（吡咯烷-1-基）茚满-2-腈容易相互转化。当在140-150℃下加热两丙烯腈和二氢化茚衍生物被发现，得到2,3,5,10,11,11一-六氢- 1 H ^ -吡咯并[1,2- b ] [2]苯并氮杂-11-腈。观察到所有的转化在反应有关的术语进行了合理化叔-氨基效应。此外，类似地获得了上述丙烯腈和茚满的相应的哌啶-1-基和氮杂-1-基类似物。通过类比其加热，得到1,2,3,4,6,11,12,12一个-octahydropyrido [1,2 b ] [2]苯并氮杂-12-腈和7,8,9,10,11,11 a，12,13- octahydro -5
• METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS
  申请人：Gilead Sciences, Inc.

  公开号：EP3848375A1

  公开（公告）日：2021-07-14

  The present invention provides methods of preparing 4-amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5H)-one and related compounds.

  本发明提供了制备4-氨基-2-丁氧基-8-(3-(吡咯烷-1-基甲基)苄基)-7,8-二氢蝶啶-6(5H)-酮及相关化合物的方法。
• Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents
  申请人：Ozawa Yoichi

  公开号：US20060004131A1

  公开（公告）日：2006-01-05

  A functionalized polymer prepared by a process comprising the steps of preparing a pseudo-living polymer by polymerizing conjugated monomer with a lanthanide-based catalyst, and reacting the pseudo-living polymer with a functionalizing agent defined by the formula (I) A-R 1 -Z  (I) where R 1 is a divalent bond or divalent organic group comprising from 0 to about 20 carbon atoms, A is a substituent that will undergo an addition reaction with a pseudo-living polymer, and Z is a substituent that will react or interact with silica or carbon black reinforcing fillers, with the proviso that A, R 1 , and Z are substituents that will not protonate a pseudo-living polymer.

  一种功能化聚合物，其制备方法包括以下步骤：用镧系催化剂聚合共轭单体，制备假活 性聚合物，并使假活性聚合物与由式（I）定义的功能化剂反应 A-R 1 -Z (I) 其中 R 1 是二价键或由 0 至约 20 个碳原子组成的二价有机基团，A 是会与假活聚合物发生加成反应的取代基，Z 是会与二氧化硅或炭黑增强填料发生反应或相互作用的取代基，但 A、R 1 和 Z 是不会使假生命聚合物发生质子化反应的取代基。
• IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST
  申请人：BeiGene, Ltd.

  公开号：EP3921319A1

  公开（公告）日：2021-12-15