N-<4-Nitro-benzyl>-pyridinium | 24837-70-5

• 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: N-<4-Nitro-benzyl>-pyridinium
• 英文别名: <4-Nitrobenzyl>-pyridinium；p-nitrobenzylpyridinium；1-(4-nitro-benzyl)-pyridinium；1-(4-nitro-benzyl)-pyridinium cation；1-[(4-Nitrophenyl)methyl]pyridin-1-ium
• CAS: 24837-70-5
• 化学式: C₁₂H₁₁N₂O₂
• 分子量: 215.232
• InChiKey: NQZWJOKNWNCQJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吡啶 在 p-nitrobenzyl halide 作用下， 反应 3.0h， 生成 N-<4-Nitro-benzyl>-pyridinium
  参考文献：
  名称：

  Investigations of the fragmentation pathways of benzylpyridinium ions under ESI/MS conditions

  摘要：

  苄基吡啶鎓离子经常被用作 "温度计离子"，以评估在质谱仪源中形成的离子的内部能量分布。然而，这些母离子的详细碎裂途径尚未得到很好的确定。特别是涉及重排（RR）过程的碎片可能会影响模拟分布曲线。在之前的研究中，我们认为在电喷雾电离/质谱（ESI/MS）和快速原子轰击/质谱（FAB/MS）实验中实际发生了这种重排。在此，我们对不同取代的苄基吡啶鎓离子进行了系统研究。理论计算表明，在诸如 ESI 或 FAB 等 "软电离 "条件下，会发生导致取代的托吡啶离子的 RR 断裂。在气相反应条件下获得的实验结果表明，在 ESI/MS 条件下，一些取代的苄基吡啶鎓化合物实际上会发生 RR 断裂。为了了解实际发生的反应途径，还进行了质量分析动力学实验，这些实验结果与理论上提出的反应途径一致。Copyright © 2009 John Wiley & Sons, Ltd. All Rights Reserved.

  DOI：

  10.1002/jms.1672

文献信息

• 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。
• Reactions of Charged Substrates. 4. The Gas-Phase Dissociation of (4-Substituted benzyl)dimethylsulfoniums and -pyridiniums
  作者：Neil Buckley、David Maltby、Alma L. Burlingame、Norman J. Oppenheimer

  DOI：10.1021/jo951257w

  日期：1996.1.1

  The relative rates for the gas-phase dissociation RX(+) --> R(+) + X degrees of five (4-Y-substituted benzyl)-dimethysulfoniums (Y = MeO, Me, H, Cl, and NO2) and 24 (4-Y-substituted benzyl)-3'-Z-pyridiniums (complete series for Z = CN, Cl, CONH2, and H, and 4-methoxy- and 4-nitrobenzyls for Z = F and CH3CO) were measured using liquid secondary ion mass spectrometry. The Hammett plot (vs delta Delta G degrees or sigma(+)) is linear for the sulfoniums, but plots for the four pyridinium series have a drastic break between the 4-Cl and 4-NO2 substrates. Broinsted-like plots for the pyridiniums show a strong leaving group effect only for 4-nitrobenzyls. An analysis of these linear free energy relations with supporting evidence from semiempirical computations suggests that collisionally activated pyridinium substrates dissociate by two pathways, direct dissociation and through an ion-neutral complex intermediate. Comparison of these results with results for the solution reactions of some of these compounds shows that the mechanism is different in the gas and solution phases. Sufficient experimental data are not available to assign a mechanism for dissociation to the sulfonium series, but computational results show characteristics of a direct dissociative mechanism.
• Heat-latent curing catalyst and resin compositions containing the same
  申请人：NIPPON PAINT CO., LTD.

  公开号：EP0385504B1

  公开（公告）日：1995-10-04
• THE CONTINUOUS LONG-TERM CONTROLLED RELEASE OF TELOMERASE INHIBITORS
  申请人：LASTER Brenda

  公开号：US20160228356A1

  公开（公告）日：2016-08-11

  Disclosed herein telomerase inhibitors and controlled-release formulations thereof, the use of telomerase-inhibiting porphyrins, especially metalloporphyrins, in the controlled-release intratumoral implants for the treatment of cancer. Provided herein also specific compositions of metalloporphyrins and poly-(lactic-co-glycolic)-acid copolymers, in various implantable forms, and methods of treatment cancer by administering the implants of the invention, alongside possible co-treatment with brachytherapy radioactive seeds to precipitate Auger effect of the metal atoms contained in the metalloporphyrins.
• US5391661A
  申请人：——

  公开号：US5391661A

  公开（公告）日：1995-02-21