3,6-Dimethylpicolinonitrile

Base Information

• Chemical Name: 3,6-Dimethylpicolinonitrile
• CAS No.: 68164-77-2
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10479248
• Nikkaji Number: J2.172.469F
• Wikidata: Q82313230
• Mol file: 68164-77-2.mol

Synonyms:3,6-Dimethylpicolinonitrile;68164-77-2;3,6-DIMETHYLPYRIDINE-2-CARBONITRILE;2-CYANO-3,6-DIMETHYLPYRIDINE;MFCD06637568;3,6-DIMETHYL-2-PYRIDINECARBONITRILE;2-PYRIDINECARBONITRILE, 3,6-DIMETHYL-;SCHEMBL929272;CWZCKTXCBOLZIG-UHFFFAOYSA-;DTXSID10479248;CWZCKTXCBOLZIG-UHFFFAOYSA-N;AMY18910;AKOS006292058;AB25377;AS-55143;CS-0313446;FT-0756706;Y10193;A1-49591;J-511411;InChI=1/C8H8N2/c1-6-3-4-7(2)10-8(6)5-9/h3-4H,1-2H3

Chemical Property of 3,6-Dimethylpicolinonitrile

Chemical Property:

• Boiling Point: 260 °C at 760 mmHg
• Flash Point: 99.6 °C
• PSA: 36.68000
• Density: 1.05 g/cm³
• LogP: 1.57008
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• 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:

98%min ^*data from raw suppliers

3,6-dimethylpicolinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3,6-Dimethylpicolinonitrile

There total 9 articles about 3,6-Dimethylpicolinonitrile 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: 45.0%

2,5-dimethylpyridine (589-93-5) + potassium cyanide (151-50-8) → 3,6-dimethylpyridine-2-carbonitrile (68164-77-2)

Guidance literature:

2,5-dimethylpyridine; With nitric acid; trifluoroacetic anhydride; at 20 ℃;

potassium cyanide; With sodium acetate; at 20 ℃; for 12h;

DOI:10.1055/s-2005-861849

Reference yield:

zinc(II) cyanide (557-21-1) + 3-Methyl-2-chloro-6-methyl-pyridine (72093-14-2) → 3,6-dimethylpyridine-2-carbonitrile (68164-77-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 130 ℃; for 2h; Microwave irradiation;

Reference yield:

2,5-dimethylpyridine N-oxide (4986-05-4) + trimethylsilyl cyanide (7677-24-9) → 3,6-dimethylpyridine-2-carbonitrile (68164-77-2)

Guidance literature:

With N,N-diethylcarbamyl chloride; In dichloromethane; at 20 ℃; for 96h;

upstream raw materials:

2-cyano-3,6-dimethylpyridine 1-oxide

2,5-dimethylpyridine

potassium cyanide

2,5-dimethylpyridine N-oxide

Downstream raw materials:

(3,6-dimethylpyridin-2-yl)methanol

Refernces

• 1、 -. "POTASSIUM CHANNEL MODULATORS". . . Retrieved 2018/01/14.
• 2、 Russell, Michael G. N.,Carling, Robert W.,Atack, John R.,Bromidge, Frances A.,Cook, Susan M.,Hunt, Peter,Isted, Catherine,Lucas, Matt,McKernan, Ruth M.,Mitchinson, Andrew,Moore, Kevin W.,Narquizian, Robert,Macaulay, Alison J.,Thomas, David,Thompson, Sally-Anne,Wafford, Keith A.,Castro, José L.. "Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4- triazolo[3,4-a]phthalazines as GABAA receptor agonists at the α3 subunit". . p. 1367 - 1383. Retrieved 2007/10/03.