1-methyl-4-(4-nitro-trans-styryl)-quinolinium; iodide | 111586-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-methyl-4-(4-nitro-trans-styryl)-quinolinium; iodide
• 英文别名: 1-Methyl-4-(4-nitro-trans-styryl)-chinolinium; Jodid
• CAS: 111586-05-1
• 化学式: C₁₈H₁₅N₂O₂*I
• 分子量: 418.234
• InChiKey: PLQPGVYICZECFG-MLBSPLJJSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  47.02
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-methyl-4-(4-nitro-trans-styryl)-quinolinium; iodide 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Charge transfer fluorescence of trans-stryrylpyridinium iodides

  摘要：

  The photoprocesses of trans-1-methyl-4-[4-R-styryl]pyridinium iodide (R = H, P1) and derivatives with a cyano, a nitro and a methoxy group at the phenyl moiety, P2-P4, respectively, were studied in solution. In solvents of relatively low polarity, e.g. tetrahydrofuran, where contact ion pairs are present, the fluorescence spectrum of the styrylpyridinium is significantly red-shifted and the quantum yield is strongly enhanced. These findings are due to photoinduced electron transfer from I- to the excited singlet state of the cation. The features of complementary trans-styrylquinolinium iodides are in good accordance. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.12.019
• 作为产物：
  描述：

  对硝基苯甲醛 、 1,4-dimethylquinolinium iodide 在 哌啶 、 甲醇 作用下， 生成 1-methyl-4-(4-nitro-trans-styryl)-quinolinium; iodide
  参考文献：
  名称：

  Notes - Quaternary Salts Similar to 4-(p-Dimethylaminostyryl)quinoline Methiodide

  摘要：

  DOI：

  10.1021/jo01360a606

文献信息

• Synthesis and photochemical properties of azidohemicyanine
  作者：M. F. Budyka、N. V. Biktimirova、T. N. Gavrishova、V. I. Kozlovskii

  DOI：10.1007/s11172-008-0185-6

  日期：2008.7

  presence of oxygen. The reaction products identified by ESI mass spectrometry include the corresponding primary amine as well as azo, hydrazo, nitroso, and nitro compounds, some of them are unidentified. The azidohemicyanine possesses the longest-wavelength visible light sensitivity among aromatic azides known so far.

  叠氮半花青素（1-methyl-4-(4-azidostyryyl)quinolinium iodide）的光化学活性是通过量子化学计算预测的，并通过实验得到证实。合成的叠氮半花青素的特征是在 350-500 nm 的光谱区域具有长波长吸收带 (LWAB)，最大波长为 417 nm；在 LWAB 内照射时，它以 0.84±0.17 的量子产率分解，量子产率与氧的存在无关。ESI质谱鉴定的反应产物包括相应的伯胺以及偶氮、偶氮、亚硝基和硝基化合物，其中一些未鉴定。叠氮半花青素在迄今为止已知的芳香族叠氮化物中具有最长波长的可见光灵敏度。
• NOUVEAUX SUBSTRATS ENZYMATIQUES DE NITROREDUCTASE
  申请人：Biomérieux

  公开号：EP2459737A2

  公开（公告）日：2012-06-06
• NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES
  申请人：Fabrega Olivier

  公开号：US20120129204A1

  公开（公告）日：2012-05-24

  The invention relates to the use of a compound having formula (I) as an enzymatic substrate for the detection of a nitroreductase activity, wherein: W 1 , W 2 , W 3 and W 4 are independently H, Br, Cl, F, I, alkyl, alkoxy, thiomethyl, perfluoroalkyl, nitro, cyano, carboxyl (including the esters or amides thereof) or any combination of same; n=0, 1 or 2; U is N or N + R and V is CZ 6 N or N + R or V is N or N + R and U is CZ 6 , R being H, alkyl, aralkyl, aryl, alkanoic or alkylsulphonic; and Z 1 , Z 2 , Z 3 , Z 4 , Z 5 and Z 6 are independently H, Br, Cl, F, I, alkyl, aryl, alkoxy, perfluoroalkyl, nitro, cyano, carboxyl, sulphonyl, including the sulphonyl or carboxyl amides or esters thereof, and the salts of same.
• US8592175B2
  申请人：——

  公开号：US8592175B2

  公开（公告）日：2013-11-26
• [EN] NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES<br/>[FR] NOUVEAUX SUBSTRATS ENZYMATIQUES DE NITROREDUCTASE
  申请人：BIOMERIEUX SA

  公开号：WO2011012824A2

  公开（公告）日：2011-02-03

  L'invention concerne l'utilisation d'un composé de la formule (I) suivante, comme substrat enzymatique pour la détection d'une activité nitroréductase :Formule (I) selon laquelle : • W1, W2, W3 et W4 sont indépendamment H, Br, C1, F, I, alkyle, alkoxy, thiométhyle, perfluoroalkyle, nitro, cyano, carboxyle (incluant ses esters ou amides) ou toute combinaison de ceux-ci • n = 0, 1 ou 2 • U est N ou N+R et V est CZ6 N ou N+R ou V est N ou N+R et U est CZ6, R étant H, alkyle, aralkyle, aryle, alcanoïque ou alkylsulfonique • Z1, Z2, Z3, Z4, Z5 et Z6 étant indépendamment H, Br, C1, F, I, alkyle, aryle, alkoxy, perfluoroalkyle, nitro, cyano, carboxyle, sulfonyle, incluant les esters ou amides de carboxyle ou sulfonyle et leurs sels.