4,6-Dimethylnicotinonitrile

Base Information

• Chemical Name: 4,6-Dimethylnicotinonitrile
• CAS No.: 6623-21-8
• Molecular Formula: C₈H₈N₂
• Molecular Weight: 132.165
• Hs Code.: 2933399990
• NSC Number: 54160
• DSSTox Substance ID: DTXSID80288107
• Wikidata: Q72471835
• Mol file: 6623-21-8.mol

Synonyms:4,6-dimethylnicotinonitrile;6623-21-8;4,6-dimethylpyridine-3-carbonitrile;4,6-dimethyl-nicotinonitrile;3-cyano-4,6-dimethylpyridine;NSC54160;SCHEMBL317517;5-cyano-2,4-dimethylpyridine;5-cyano-2,4-dimethyl-pyridine;DTXSID80288107;BZIDYPIJVCEUIB-UHFFFAOYSA-N;MFCD00234419;NSC-54160;AKOS000320630;AM87129;SB38187;DS-11886;CS-0085688;FT-0617266;O11143;A835378;AC-907/25004789;J-514167

Chemical Property of 4,6-Dimethylnicotinonitrile

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: 57-58oC
• Refractive Index: 1.525
• Boiling Point: 250.6 °C at 760 mmHg
• PKA: 3.16±0.18(Predicted)
• Flash Point: 97.2 °C
• Density: 1.05 g/cm³
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

4,6-dimethylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1C#N)C

Technology Process of 4,6-Dimethylnicotinonitrile

There total 6 articles about 4,6-Dimethylnicotinonitrile 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: 68.0%

2-chloro-4,6-dimethylnicotinonitrile (14237-71-9) → 3-cyano-4,6-dimethylpyridine (6623-21-8)

Guidance literature:

With hydrogenchloride; zinc; In water;

DOI:10.1007/s10593-011-0861-6

Reference yield:

S-methyl-4,6-dimethyl-2-thiopyridine-3-carbonitrile (72456-86-1) → 1-(4,6-dimethylpyridin-3-yl)methanamine (98489-36-2) + 3-cyano-4,6-dimethylpyridine (6623-21-8) + 3-aminomethyl-4,6-dimethyl-2-methylthiopyridine (445471-13-6)

Guidance literature:

With hydrogen; nickel; In ethanol; at 130 ℃; under 152000 Torr;

DOI:10.1007/s11172-006-0158-6

Reference yield:

2-chloro-4,6-dimethylnicotinonitrile (14237-71-9) → 1-(4,6-dimethylpyridin-3-yl)methanamine (98489-36-2) + 3-cyano-4,6-dimethylpyridine (6623-21-8)

Guidance literature:

upstream raw materials:

2-chloro-4,6-dimethylnicotinonitrile

2-hydroxy-4,6-dimethyl-3-carbonitrile

S-methyl-4,6-dimethyl-2-thiopyridine-3-carbonitrile

acetylacetone

Downstream raw materials:

4,6-dimethyl-3-pyridinecarboxamide

4,6-dimethylpyridine-3-carboxylic acid

Methyl 4,6-Dimethylnicotinate

angustidine