2-benzylisoquinolinium | 38602-73-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-benzylisoquinolinium
• 英文别名: 2-benzyl-isoquinolinium；2-Benzylisochinoliniumion；N-Benzyl-isochinolinium；2-Benzylisochinolinium；2-benzylisoquinolin-2-ium
• CAS: 38602-73-2
• 化学式: C₁₆H₁₄N
• 分子量: 220.294
• InChiKey: SKWVBQXMMPBKGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-benzylisoquinolinium 在 potassium hexacyanoferrate(III) 作用下， 以 水 、 乙腈 为溶剂， 生成 2-苯基甲基异喹啉-1-酮
  参考文献：
  名称：

  Kinetics of the oxidation of isoquinolinium cations by ferricyanide ion

  摘要：

  DOI：

  10.1021/jo00361a024
• 作为产物：
  描述：

  异喹啉 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-benzylisoquinolinium
  参考文献：
  名称：

  Stereochimie de la cycloadditton des diarylnitrilimines sur les n-alkyl et les dialkyl-1,2 dihydro-1,2 isoquinoleines

  摘要：

  DOI：

  10.1016/s0040-4020(01)91394-8

文献信息

• [EN] IONIC LIQUIDS BASED ON OXALIC ACID MONO ESTERS<br/>[FR] LIQUIDES IONIQUES À BASE DE MONOESTERS DE L'ACIDE OXALIQUE
  申请人：BASF SE

  公开号：WO2014056844A1

  公开（公告）日：2014-04-17

  Monosubstituted oxalic acid derivatives of the general formula (I) [A]+[O-C(O)-C(O)-O-X]-, wherein the meaning is: for [A]+, a cation made from an organic moiety A having a formally positively charged heteroatom selected from the group consisting of nitrogen, phosphorus and sulfur, X is a C1 to C30 organic residue, and wherein the following compounds (I) are disclaimed:tetramethylammonium monomethyloxalate methyltri(alkyl)ammonium monomethyloxalate trimethyl(1-hydroxyethyl)ammonium monomethyloxalate methyltriethylammonium monomethyloxalate tetraethylammonium monomethyloxalate n-propyltriethylammonium mono-n-propyloxalate n-butyltriethylammonium mono-n-butyloxalate benzyltriethylammonium monobenzyloxalate cyclohexyldimethylammonium monomethyloxalate dimethyl-phenylammonium monomethyloxalate. Tetrabutylammonium monomethyloxalate N-methylpyridinium monomethyloxalate N-ethylpyridinium monoethyloxalate N-n-propylpyridinium mono-n-propyloxalate N-n-butylpyridinium mono-n-butyl-oxalate N-benzylpyridinium monobenzyloxalate N-methyl-isochinolinium monomethyloxalate N-ethyl-isochinolinium monoethyloxalate N-n-propyl-isochinoliniummono-n-propyloxalate N-n-butyl-isochinolinium mono-n-butyloxalate N-benzyl-isochinolinium monobenzyloxalate.

  单取代草酸衍生物的一般式(I) [A]+[O-C(O)-C(O)-O-X]-，其中含义为：对于[A]+，是由有机基团A形成的阳离子，其正式带正电的杂原子选自氮、磷和硫组成的群，X是一个C1到C30的有机残基，且以下化合物(I)被否认：四甲基铵单甲氧草酸酯 甲基三(烷基)铵单甲氧草酸酯 三甲基(1-羟乙基)铵单甲氧草酸酯 甲基三乙基铵单甲氧草酸酯 四乙基铵单甲氧草酸酯 正丙基三乙基铵单正丙氧草酸酯 正丁基三乙基铵单正丁氧草酸酯 苄基三乙基铵单苄氧草酸酯 环己基二甲基铵单甲氧草酸酯 二甲基苯基铵单甲氧草酸酯。 四丁基铵单甲氧草酸酯 N-甲基吡啶铵单甲氧草酸酯 N-乙基吡啶铵单乙氧草酸酯 N-正丙基吡啶铵单正丙氧草酸酯 N-正丁基吡啶铵单正丁氧草酸酯 N-苄基吡啶铵单苄氧草酸酯 N-甲基异喹啉铵单甲氧草酸酯 N-乙基异喹啉铵单乙氧草酸酯 N-正丙基异喹啉铵单正丙氧草酸酯 N-正丁基异喹啉铵单正丁氧草酸酯 N-苄基异喹啉铵单苄氧草酸酯。
• ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE
  申请人：Ishitsuka Kenichi

  公开号：US20130037753A1

  公开（公告）日：2013-02-14

  Disclosed is an organic electronic material comprising charge transporting compounds and ionic compounds having electron-accepting properties and high solubility in a solvent. The organic electronic material is characterized by comprising charge transporting compounds and ionic compounds, and in that at least one of the ionic compounds is any one kind of compounds represented by general formulas (1b)-(3b). (In the formulas Y 1 -Y 6 each independently represent a divalent linking group, R 1 -R 6 each independently represent an electron-attracting organic substituent (these structures can further have substituents and hetero-atoms, and R 1 , R 2 and R 3 , or, R 4 -R 6 can respectively combine and become a ring shape or a polymer shape) and L + represents a monovalent cation.)

  本文揭示了一种有机电子材料，包括具有电荷传输化合物和具有接受电子性质且在溶剂中具有高溶解度的离子化合物。该有机电子材料的特点在于包括电荷传输化合物和离子化合物，并且至少其中一个离子化合物是由通用式（1b）-（3b）表示的化合物中的任意一种。（在式中，Y1-Y6分别表示二价连接基团，R1-R6分别表示吸引电子的有机取代基（这些结构可以进一步具有取代基和杂原子，且R1、R2和R3，或者R4-R6可以分别结合形成环状或聚合物形状），L+表示一价阳离子。）
• PHOTO LEWIS ACID GENERATOR
  申请人：Nippon Shokubai Co., Ltd.

  公开号：US20200062783A1

  公开（公告）日：2020-02-27

  Provided is a compound capable of generating a Lewis acid in response to light unlike conventional photo acid generators. The compound comprises an anionic moiety having a central boron atom and a particular cationic moiety (for example, a cation having a HOMO-LUMO gap of 5.3 eV or less). The cationic moiety may, for example, have a skeleton selected from an N-substituted pyridinium skeleton, an N-substituted bipyridinium skeleton, an N-substituted quinolinium skeleton, and a pyrylium skeleton.

  提供一种化合物，能够产生与传统光酸发生器不同的路易斯酸。该化合物包括具有中心硼原子的阴离子基团和特定阳离子基团（例如，具有5.3电子伏特或更低的HOMO-LUMO能隙的阳离子基团）。阳离子基团可以选择具有N-取代吡啶骨架、N-取代联吡啶骨架、N-取代喹啉骨架和吡啉骨架的骨架之一。
• SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF
  申请人：Suzuki Issei

  公开号：US20110039205A1

  公开（公告）日：2011-02-17

  An object of the present invention is to provide a sulfonium salt that has sufficient photosensitivity by active energy rays, such as visible light, ultraviolet rays, electron beams, and X-rays. The present invention is a sulfonium salt represented by formula (1). It is noted that R 1 is a group represented by formula (2); R 2 and R 3 each represent an aryl group having 6 to 30 carbon atoms, a heterocyclic hydrocarbon group having 4 to 30 carbon atoms, an alkyl group having 1 to 30 carbon atoms, an alkenyl group having 2 to 30 carbon atoms, or an alkynyl group having 2 to 30 carbon atoms; X − represents a monovalent polyatomic anion; R 4 to R 6 each represent an alkyl group, or the like; k represents an integer of 0 to 4; m represents an integer of 0 to 3; n represents an integer of 0 to 4; and A represents a group represented by —S—, —O—, —SO—, —SO 2 —, or —CO—.

  本发明的目的是提供一种具有足够光敏度的烷基硫鎓盐，能够通过活性能量射线，如可见光、紫外线、电子束和X射线来激发。本发明是一种由式（1）表示的烷基硫鎓盐。其中，R1是由式（2）表示的基团；R2和R3分别表示具有6至30个碳原子的芳基基团、具有4至30个碳原子的杂环烃基团、具有1至30个碳原子的烷基基团、具有2至30个碳原子的烯基基团或具有2至30个碳原子的炔基基团；X-表示单价多原子阴离子；R4至R6分别表示烷基基团或类似物；k表示0至4的整数；m表示0至3的整数；n表示0至4的整数；A表示由—S—、—O—、—SO—、—SO2—或—CO—表示的基团。
• Isoquinoline derivatives, their preparation and pharmaceutical compositions containing these compounds
  申请人：THE MASSACHUSETTS GENERAL HOSPITAL

  公开号：EP0010119A1

  公开（公告）日：1980-04-30

  Intermediate-duration reversible neuromuscular blocking agents of the formula (I) where B and C are preferably para or may be meta and are each where W is CH2 or most preferably CH = CH R1, R2, R3 and R4 are the same or different and are each hydrogen or lower alkoxy of 1 to 4 carbon atoms and preferably methoxy, Y is lower alkyl of 1 to 4 carbon atoms and preferably methyl, Z is hydrogen, lower alkyl of 1 to 4 carbon atoms, cyclopentyl, cyclohexyl, benzyl or where ALKYL has 1 to 4 carbon atoms preferably where the O-ALKYL is at the 2, 3, 4 or 5 positions such as 4-methoxy benzyl and is most preferably 3, 4-dimethoxy benzyl or 3, 4, 5-trimethoxybenzyl, n is 2, 3 or 4, mos preferably 2 or 3 provided that at least one of R1 to R4 is lower alkoxy and most preferably where R1 and R4 is hydrogen and R2 and R3 are methoxy and X is a pharmaceutically acceptable anion. The neuromuscular blocking agents of formula are useful for administration to a patient to cause skeletal muscle relaxion during surgery and are normally administered intravenously in a pharmaceutically acceptable carrier.

  式(I)的中效可逆性神经肌肉阻断剂 其中 B 和 C 优选为对位，也可以是元对位，且分别为 其中 W 是 CH2 或最优选 CH = CH R1、R2、R3 和 R4 相同或不同，各自是氢或 1 至 4 个碳原子的低级烷氧基，优选甲氧基；Y 是 1 至 4 个碳原子的低级烷基，优选甲基；Z 是氢、1 至 4 个碳原子的低级烷基、环戊基、环己基、苄基或 其中 ALKYL 具有 1 至 4 个碳原子，优选 O-ALKYL 位于 2、3、4 或 5 位，如 4-甲氧基苄基，最优选 3、4-二甲氧基苄基或 3、4、5-三甲氧基苄基，n 为 2、3 或 4，最优选 2 或 3，条件是 R1 至 R4 中至少有一个为低级烷氧基，最优选 R1 和 R4 为氢，R2 和 R3 为甲氧基，X 为药学上可接受的阴离子。 式中的神经肌肉阻断剂适用于在手术过程中给病人使用，以引起骨骼肌松弛，通常在药学上可接受的载体中静脉给药。