1-Isoquinolinecarbonitrile
- CAS NO.:1198-30-7
- Empirical Formula: C10H6N2
- Molecular Weight: 154.17
- MDL number: MFCD00134166
- EINECS: 627-280-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 1-Isoquinolinecarbonitrile?
The Uses of 1-Isoquinolinecarbonitrile
1-Isoquinolinecarbonitrile may be used as starting reagent in the syntheses of imidazo[5,1-a]isoquinolines.
Preparation
Phosphoryl 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 Description
Effect 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.
Properties of 1-Isoquinolinecarbonitrile
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 Reference | 1198-30-7(CAS DataBase Reference) |
Safety information for 1-Isoquinolinecarbonitrile
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-Isoquinolinecarbonitrile
New Products
6-Bromo 2-Iodo Indole Pyridine 2,4,6-Tricarboxaldehyde Fosfomycin EP impurity D Ivermectin EP Impurity B Rimegepant Impurity 3 2,2-diethoxyethanethioamide Tubulysin I Tubulysin F Tubulysin G 2-(1-(Mercaptomethyl) cyclopropyl) acetonitrile (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine Imeglimin Hydrochloride IH 2-[2-[3(S)-3[2-(7-chloro-2-quinolinyl) ethenyl] phenyl-3- hydroxyl propyl] phenyl]-2-propanol Fuel shell 2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol ethanedioate 2-(4-Bromopyridin-2-yl)acetonitrile Methyl 4-amino-3-(dihexylamino)benzoate Benzene butanoic acid, 2-hydroxy-3-iodo-, methyl ester 4,7-Dibromobenzo[c][1,2,5]thiadiazole-5,6-diamine 1-(4-Fluorophenyl)piperidin-2-one 3,6-Bis(4-iodophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile N-Boc-(S)-2-amino-3-benzyloxy-1-propanol 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carbonitrileRelated products of tetrahydrofuran
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