6-Formylpicolinonitrile

Base Information

• Chemical Name: 6-Formylpicolinonitrile
• CAS No.: 85148-95-4
• Molecular Formula: C₇H₄N₂O
• Molecular Weight: 132.122
• Hs Code.: 2933399090
• European Community (EC) Number: 827-433-5
• DSSTox Substance ID: DTXSID40372718
• Wikidata: Q82160572
• Mol file: 85148-95-4.mol

Synonyms:6-Formylpicolinonitrile;85148-95-4;6-formylpyridine-2-carbonitrile;6-formyl-2-Pyridinecarbonitrile;2-PYRIDINECARBONITRILE, 6-FORMYL-;6-Cyano-2-pyridine aldehyde;SCHEMBL3260499;DTXSID40372718;ZRXBMWPJUPMZCZ-UHFFFAOYSA-N;MFCD01108768;AKOS004903741;2-Pyridinecarbonitrile,6-formyl-(9ci);AB08283;CS-W018781;DS-17691;FT-0700995;EN300-192913;P10169;A863679

Chemical Property of 6-Formylpicolinonitrile

Chemical Property:

• Melting Point: 80-82 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 225.2±20.0 °C(Predicted)
• PKA: 0.01±0.10(Predicted)
• PSA: 53.75000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 0.76578
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 132.032362755
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

6-Formylpicolinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1)C#N)C=O

Technology Process of 6-Formylpicolinonitrile

There total 11 articles about 6-Formylpicolinonitrile 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: 81.0%

6-(hydroxymethyl)pyridine-2-carbonitrile (50501-38-7) → 6-cyano-2-pyridinecarboxaldehyde (85148-95-4)

Guidance literature:

With phosphoric acid; dimethyl sulfoxide; dicyclohexyl-carbodiimide; for 1.5h; Ambient temperature;

DOI:10.1248/cpb.38.2446

Reference yield: 80.0%

6-vinylpyridine-2-carbonitrile (120613-15-2) → 6-cyano-2-pyridinecarboxaldehyde (85148-95-4)

Guidance literature:

6-vinylpyridine-2-carbonitrile; With ozone; In methanol; at -78 ℃; for 0.5h;

With dimethylsulfide; In methanol; at -78 - 20 ℃;

DOI:10.1016/j.bmc.2009.03.001

Reference yield: 72.0%

6-Dibromomethyl-2-cyanopyridine (85148-97-6) → 6-cyano-2-pyridinecarboxaldehyde (85148-95-4)

Guidance literature:

With silver nitrate; In ethanol; water; for 10h; Heating;

DOI:10.1055/s-1982-30085

upstream raw materials:

6-(hydroxymethyl)pyridine-2-carbonitrile

6-Dibromomethyl-2-cyanopyridine

2-Cyano-6-methylpyridine

2-methylpyridine N-oxide

Downstream raw materials:

6-(hydroxymethyl)pyridine-2-carbonitrile

2,6-dimethyl-4-(6-cyano-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-β-(N-benzyl-N-methylamino)ethyl ester 5-methyl ester