2-Methylquinoline-4-carbonitrile

Base Information

• Chemical Name: 2-Methylquinoline-4-carbonitrile
• CAS No.: 29196-15-4
• Molecular Formula: C₁₁H₈N₂
• Molecular Weight: 168.198
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80349686
• Nikkaji Number: J1.186.125C
• Wikidata: Q82125084
• ChEMBL ID: CHEMBL1382194
• Mol file: 29196-15-4.mol

Synonyms:2-methylquinoline-4-carbonitrile;29196-15-4;2-Methyl-4-quinolinecarbonitrile;4-CYANO-2-METHYLQUINOLINE;4-QUINOLINECARBONITRILE, 2-METHYL-;4-cyanoquinaldine;2-Methylcinchoninonitrile;MLS000079693;SCHEMBL3970770;CHEMBL1382194;AMY4708;DTXSID80349686;BQAMFFZNQIMHJG-UHFFFAOYSA-N;HMS2172G21;HMS3321M20;MFCD01085095;Quinoline-4-carbonitrile, 2-methyl-;STK776277;AKOS005618250;AB08233;BS-22230;SMR000037556;CS-0313606;FT-0692468;F87270

Chemical Property of 2-Methylquinoline-4-carbonitrile

Chemical Property:

• Vapor Pressure: 0.0131mmHg at 25°C
• Boiling Point: 259.2°Cat760mmHg
• Flash Point: 99.4°C
• PSA: 36.68000
• Density: 1.17g/cm³
• LogP: 2.41488
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98%Min ^*data from raw suppliers

2-Methyl-4-quinolinecarbonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=C1)C#N

Technology Process of 2-Methylquinoline-4-carbonitrile

There total 10 articles about 2-Methylquinoline-4-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

4-iodo-2-methylquinoline (99361-09-8) + copper(I) cyanide (544-92-3) → 2-methylquinoline-4-carbonitrile (29196-15-4)

Guidance literature:

With (diphenylphosphin)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; for 1h; Heating;

DOI:10.1039/a903345i

Reference yield: 94.0%

zinc(II) cyanide (557-21-1) + 4-chloro-2-methylquinoline (4295-06-1) → 2-methylquinoline-4-carbonitrile (29196-15-4)

Guidance literature:

zinc(II) cyanide; With aluminum oxide; Ni(xantphos)(o-tolyl)Cl; for 1h; Schlenk technique; Inert atmosphere; Sealed tube;

4-chloro-2-methylquinoline; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c7ob00892a

Reference yield: 94.0%

4-chloro-2-methylquinoline (4295-06-1) + dicyanozinc (557-21-1) → 2-methylquinoline-4-carbonitrile (29196-15-4)

Guidance literature:

dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In water; N,N-dimethyl-formamide; at 120 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.03.026

upstream raw materials:

2-methylquinoline-4-carboxamide

4-iodo-2-methylquinoline

copper(I) cyanide

2-methylquinoline N-oxide

Downstream raw materials:

2-methyl-quinoline-4-carbonimidic acid p-toluidide

(2-methylquinolin-4-yl)(phenyl)methanone

2-methyl-quinoline-4-carbonimidic acid anilide

2-methyl-quinoline-4-carbonimidic acid-(N-methyl-anilide)