5-Methylnicotinonitrile

Base Information

• Chemical Name: 5-Methylnicotinonitrile
• CAS No.: 42885-14-3
• Molecular Formula: C7H6N2
• Molecular Weight: 118.138
• Hs Code.: 2933399090
• European Community (EC) Number: 255-988-8
• UNII: 15462UXN1X
• DSSTox Substance ID: DTXSID30962768
• Nikkaji Number: J309.995D
• Wikidata: Q27251690
• ChEMBL ID: CHEMBL4528869
• Mol file: 42885-14-3.mol

Synonyms:3-Cyano-5-methylpyridine;5-methylnicotinonitrile;42885-14-3;5-Methylpyridine-3-carbonitrile;MFCD00673151;5-Methyl-3-pyridinecarbonitrile;3-pyridinecarbonitrile, 5-methyl-;UNII-15462UXN1X;15462UXN1X;EINECS 255-988-8;5-cyano-3-methylpyridine;5-Methyl-nicotinonitrile;SCHEMBL149800;CHEMBL4528869;3-METHYL-5-CYANOPYRIDINE;DTXSID30962768;NICOTINONITRILE, 5-METHYL-;AMY20773;STR05585;STK895069;AKOS005614055;5-Methylpyridine-3-carbonitrile, 97%;AC-24547;SY027541;CS-0062464;FT-0615546;EN300-102147;J-517819;Q27251690;Z1203162272

Chemical Property of 5-Methylnicotinonitrile

Chemical Property:

• Vapor Pressure: 0.0453mmHg at 25°C
• Melting Point: 83-87 °C
• Refractive Index: 1.531
• Boiling Point: 237.2 °C at 760 mmHg
• PKA: 2.08±0.20(Predicted)
• Flash Point: 93.7 °C
• PSA: 36.68000
• Density: 1.08 g/cm³
• LogP: 1.26168
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.053098200
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

5-methylpyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/37/38
• Safety Statements: 26-36/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CN=C1)C#N

Technology Process of 5-Methylnicotinonitrile

There total 6 articles about 5-Methylnicotinonitrile 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:

3,5-Lutidine (591-22-0) → 5-cyano-3-methylpyridine (42885-14-3) + 5-methyl-3-pyridinecarboxaldehyde (100910-66-5) + 5-methylpyridinylcarboxamide (70-57-5)

Guidance literature:

With manganese(IV) oxide; oxygen; urea; at 150 ℃; for 3h; under 3800.26 Torr; Autoclave;

DOI:10.1002/anie.201203098

Reference yield:

5-methylpyridinylcarboxamide (70-57-5) → 5-cyano-3-methylpyridine (42885-14-3)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In dichloromethane; at 0 ℃;

DOI:10.1021/jm0000719

Reference yield:

3,5-Lutidine (591-22-0) → 5-cyano-3-methylpyridine (42885-14-3) + pyridine-3,5-dicarbonitrile (1195-58-0)

Guidance literature:

With ammonia;

upstream raw materials:

sodium cyanide

5-methylpyridinylcarboxamide

CYANAMID

propyl 5-methyl-3-pyridinecarboximidate

Downstream raw materials:

5-methylpyridine-3-carboximidamide

1-(5-methylpyridin-3-yl)ethanone

(+/-)-5-Methylnicotine

4-[2-(5-methylpyridin-3-yl)-4-(trifluoromethyl)-1H-imidazol-1-yl]benzenesulfonamide