N-methyl-3-cyanopyridinium cation | 15923-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-methyl-3-cyanopyridinium cation
• 英文别名: N-methyl-m-cyanopyridinium cation；3-cyano-1-methyl-pyridinium；N¹-Methylnicotinonitril；N-Methyl-3-cyan-pyridiniumion；1-Methyl-3-cyano-pyridinium；N-Methyl-3-cyano-pyridinium；1-Methylpyridin-1-ium-3-carbonitrile
• CAS: 15923-33-8
• 化学式: C₇H₇N₂
• 分子量: 119.146
• InChiKey: YPQVJNCIBVIPOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-methyl-3-cyanopyridinium cation 、 2-氯丙烯腈 在 copper(l) iodide 、 水 、 锌 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以60%的产率得到4-(2-cyanoethyl)-1-methyl-4H-pyridine-3-carbonitrile
  参考文献：
  名称：

  NAD型自由基的有效捕获。吡啶鎓盐的非仿生还原。

  摘要：

  吡啶鎓盐（NAD +类似物）的单电子还原生成二氢吡啶基，然后可将其用于自由基加成过程中，以区域选择性地形成γ-取代的二氢吡啶。

  DOI：

  10.1039/b201813f

文献信息

• Substituted Tetrahydroquinolines
  申请人：Schiemann Kai

  公开号：US20080194615A1

  公开（公告）日：2008-08-14

  Disclosed are compounds of formula (I), wherein W, R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 have the meanings indicated in claim 1 . Said compounds can be used for the treatment of tumors, among other things.

  本发明揭示了式(I)的化合物，其中W、R、R1、R2、R3、R4、R5、R6和R7具有权利要求书中所示的含义。该化合物可用于肿瘤治疗等方面。
• PROCESS FOR PRODUCING STYRENIC POLYMER AND CATALYST THEREFOR
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP0543022A1

  公开（公告）日：1993-05-26

  A catalyst comprising a transition metal compound, such as pentamethylcyclopentadienyltitaniumtrimethyl, and a coordination compound formed between a quaternary ammonium salt and an anion comprising two or more groups bonded to a metal atom, such as O-cyano-N-methylpyridinium tetra(pentafluorophenyl)borate, and another catalyst comprising the above catalyst and an alkylating agent, such as triisobutylaluminum, suitable for the production of a highly syndiotactic styrenic polymer. A process for producing a highly syndiotactic styrenic polymer by polymerizing a styrenic monomer in the presence of the above catalyst. It is thereby possible to produce a highly syndiotactic styrenic polymer efficiently without the necessity for using expensive aluminoxane in a large amount.

  一种由过渡金属化合物（如五甲基环戊二烯基三甲基钛）和季铵盐与由两个或两个以上与金属原子成键的基团组成的阴离子（如O-氰基-N-甲基吡啶鎓四(五氟苯基)硼酸盐）之间形成的配位化合物组成的催化剂，以及另一种由上述催化剂和烷基化剂（如三异丁基铝）组成的催化剂，适用于生产高度对位苯乙烯聚合物。一种在上述催化剂存在下通过聚合苯乙烯单体生产高辛二酰苯乙烯聚合物的工艺。因此，无需大量使用昂贵的铝氧烷，就可以高效地生产出高度对位苯乙烯聚合物。
• Synthesis and properties of RuII(NH3)5(N-R-Cyanopyridinium) complexes
  作者：Zênis Novais da Rocha、Elia Tfouni

  DOI：10.1016/s0277-5387(00)83527-5

  日期：1992.1

  Syntheses and other properties of some pentaammineruthenium(II) complexes with N-R-cyanopyridinium cations, RuII(NH3)5(rcp) (rcp = N-methyl-2-cyanopyridinium, N-methyl-3-cyanopyridinium, N-methyl-4-cyanopyridinium, N-decyl-4-cyanopyridinium, N-dodecyl-4-cyanopyridinium or N-benzyl-4-cyanopyridinium), are reported. The UV-vis range spectra of these complexes display one higher energy intraligand absorption band and one lower energy metal-to-ligand charge-transfer (MLCT) absorption band. The energies of the MLCT bands of the N-R-4-cyanopyridinium (4-rcp) complexes are essentially the same. The cyclic voltammograms in aqueous acidic medium showed an Ru(III/II) pair of peaks with a coupled chemical reaction. The Ru(III/II) reduction potentials are essentially the same for the 4-rcp complexes. MLCT band energies are consistent with Ru(III/II) reduction potentials and are discussed in comparison with those of complexes of related and uncharged nitriles.
• SUBSTITUIERTE TETRAHYDROCHINOLINE
  申请人：Merck Patent GmbH

  公开号：EP1891076B1

  公开（公告）日：2016-01-27
• Targeting Redox-Active Pyridinium Cations to Mitochondria to Inhibit Proliferation of Drug-Resistant Cancer Cells
  申请人：The Medical College of Wisconsin, Inc.

  公开号：US20210395280A1

  公开（公告）日：2021-12-23

  The present invention provides novel mito-pyridinium compounds, prodrugs and the uses thereof for the treatment of cancer, particularly drug resistant cancer.