ChemicalBook Product Catalog Pharmaceutical intermediates Heterocyclic compound Quinoline compounds 1-Isoquinolinecarbonitrile

1-Isoquinolinecarbonitrile

1-Isoquinolinecarbonitrile Basic information
Product Name:1-Isoquinolinecarbonitrile
Synonyms:ISOQUINOLINE-1-CARBONITRILE;1-CYANOISOQUINOLINE;1-ISOQUINOLINECARBONITRILE;TIMTEC-BB SBB002487;1-Cyanoisoquinoline 98%;ISOQUINOLIN-4-YLAMINE;soquinoline-1-carbonitrile;Isoquinaldinic nitrile
CAS:1198-30-7
MF:C10H6N2
MW:154.17
EINECS:627-280-2
Product Categories:Building Blocks;Chemical Synthesis;Quinolines, Isoquinolines & Quinoxalines;Quinoline&Isoquinoline;Quinolines, Isoquinolines & Quinoxalines;Heterocyclic Building Blocks;Heterocyclic Series;Quinolines;Building Blocks;Heterocyclic Building Blocks;Isoquinolines
Mol File:1198-30-7.mol
1-Isoquinolinecarbonitrile Structure
1-Isoquinolinecarbonitrile Chemical Properties
Melting point 90-92 °C (lit.)
Boiling point 348.9±15.0 °C(Predicted)
density 1.21±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
pka-0.48±0.30(Predicted)
Water Solubility Insoluble in water.
BRN 119104
CAS DataBase Reference1198-30-7(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 26-37/39
RIDADR 3276
WGK Germany 3
Hazard Note Irritant
HazardClass 6.1
PackingGroup III
HS Code 2933499090
MSDS Information
ProviderLanguage
1-Isoquinolinecarbonitrile English
SigmaAldrich English
ALFA English
1-Isoquinolinecarbonitrile Usage And Synthesis
Uses1-Isoquinolinecarbonitrile may be used as starting reagent in the syntheses of imidazo[5,1-a]isoquinolines.
PreparationPhosphoryl chloride (0.54 g, 3.5 mmol) in chloroform (5 mL) was added dropwise to a solution of the requisite carbaldoxime (0.2 g, 1.2 mmol) in chloroform (10 mL) under ice-cooling. The mixture was heated under reflux for 4 h, treated with iced water, and the resulting precipitate was filtered off. The filtrate was basified with 28% ammonia and then extracted with chloroform to give 1-cyanoisoquinoline 1440; yield 0.17 g (95%).
Synthesis Reference(s)The Journal of Organic Chemistry, 49, p. 4056, 1984 DOI: 10.1021/jo00195a036
Tetrahedron Letters, 19, p. 589, 1978
General DescriptionEffect of magnetic field on the photosubstitution reaction of 1-isoquinolinecarbonitrile in ethanol has been reported. Conjugated polynitrile, plasma-polymerized 1-isoquinolinecarbonitrile (PPIQCN) has been prepared by plasma polymerization.
1-Isoquinolinecarbonitrile Preparation Products And Raw materials
Raw materialsPOTASSIUM CYANIDE-->Tosyl chloride-->Isoquinoline-->DBU
1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YLAMINE HCL 1-METHYLISOQUINOLINE 2-BENZOYL-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINECARBONITRILE 1-Isoquinolinecarbonitrile 2-benzoyl-3-methyl-1,2-dihydro-1-isoquinolinecarbonitrile 1-Isoquinolinecarbonitrile,5-amino-(9CI) 1-PIPERAZIN-1-YL-ISOQUINOLIN-3-YLAMINE 1-(4-METHYLPHENYL)-3-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE 2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile 3-([4-(TERT-BUTYL)BENZYL]SULFANYL)-1-PHENYL-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ylamine 1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 6-BROMO-ISOQUINOLIN-1-YLAMINE 2-Cyanopyridine 3-[(3-FLUOROBENZYL)SULFANYL]-1-(3-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE 3-THIOXO-1-(3,4,5-TRIMETHOXY-PH)2,3,5,6,7,8-HEXAHYDRO-4-ISOQUINOLINECARBONITRILE 5-CYANOISOQUINOLINE 3-Isoquinolinecarbonitrile
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