6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-[5-[2-[(2,3-DIHYDROBENZODIOXAN-5-YL)-OXY]-ETHYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
Compound with spectra: 1 NMR
![6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-[5-[2-[(2,3-DIHYDROBENZODIOXAN-5-YL)-OXY]-ETHYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE](/api/compound/2o3lxBCg4ri.png?ph=true&h=300&w=458 "6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-[5-[2-[(2,3-DIHYDROBENZODIOXAN-5-YL)-OXY]-ETHYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE")
| SpectraBase Compound ID | 2o3lxBCg4ri |
|---|---|
| InChI | InChI=1S/C30H28N5O7S.ClH/c1-17-12-19-13-26(39-2)27(40-3)15-22(19)28(18-4-6-20(7-5-18)35(37)38)34(17)29-31-30(33-32-29)43-11-10-41-21-8-9-25-23(14-21)24(36)16-42-25;/h4-9,12-15,24,36H,10-11,16H2,1-3H3,(H,31,32,33);1H/q+1;/p-1 |
| InChIKey | VKDLLUGWBBVKSB-UHFFFAOYSA-M |
| Mol Weight | 638.1 g/mol |
| Molecular Formula | C30H28ClN5O7S |
| Exact Mass | 637.139797 g/mol |
| Parent InChIKey | OKSDTASSJRRHLA-UHFFFAOYSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
1-(3-chlorophenyl)-2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
1-(3-chlorophenyl)-2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
1-(4-NITROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(6',7'-DIHYDRO-5'H-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZIN-2'-YL)-ISOQUINOLINIUM-BROMIDE
6,7-DIMETHOXY-1-(4-NITROPHENYL)-3-METHYL-N-(5',6',7',8'-TETRAHYDRO-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZEPIN-2'-YL)-ISOQUINOLINIUM-BROMIDE
3-METHYL-6,7-DIMETHOXY-1-(3,4-DIMETHOXYPHENYL)-N-(5'-MERCAPTO-1'H-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
1-(2-chlorophenyl)-2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
[5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine
QBOYRSMPWKUHOW-UHFFFAOYSA-N
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-N-(1'-BENZYL-5'-METHYLTHIO-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
| Title | Journal or Book | Year |
|---|---|---|
| Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol | Journal of Heterocyclic Chemistry | 2004 |