4-Cyanomethyl-2,6-dimethylpyridine

Base Information

• Chemical Name: 4-Cyanomethyl-2,6-dimethylpyridine
• CAS No.: 130138-46-4
• Molecular Formula: C9H10 N2
• Molecular Weight: 146.192
• DSSTox Substance ID: DTXSID90926609
• Wikidata: Q82901176
• Mol file: 130138-46-4.mol

Synonyms:4-Cyanomethyl-2,6-dimethylpyridine;130138-46-4;2-(2,6-DIMETHYLPYRIDIN-4-YL)ACETONITRILE;(2,6-Dimethyl-pyridin-4-yl)-acetonitrile;4-Pyridineacetonitrile,2,6-dimethyl-(9CI);SCHEMBL1924013;DTXSID90926609;MFCD18088988;AKOS024195437;(2,6-Dimethylpyridin-4-yl)acetonitrile;F96951

Chemical Property of 4-Cyanomethyl-2,6-dimethylpyridine

Chemical Property:

• PSA: 36.68000
• LogP: 1.76448
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

95% ^*data from raw suppliers

2,6-dimethyl-4-Pyridineacetonitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=N1)C)CC#N

Technology Process of 4-Cyanomethyl-2,6-dimethylpyridine

There total 6 articles about 4-Cyanomethyl-2,6-dimethylpyridine 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: 92.0%

sodium cyanide (143-33-9,25596-52-5) + 2,6-dimethyl-pyridin-4-ylmethyl chloride (120739-87-9) → (2,6-dimethylpyridin-4-yl)acetonitrile (130138-46-4)

Guidance literature:

In dimethyl sulfoxide; at 0 - 20 ℃; for 2h;

Reference yield: 80.0%

2-methyl-pyridin-4-ylmethyl chloride (75523-42-1) + sodium cyanide (143-33-9,25596-52-5) → 2-(2-methylpyridin-4-yl)acetonitrile (130138-46-4,851262-33-4)

Guidance literature:

In dimethyl sulfoxide; at 0 - 20 ℃; for 3h;

Reference yield: 72.0%

Benzenesulfonyl-(2,6-dimethyl-1H-pyridin-4-ylidene)-acetonitrile (130138-58-8) → (2,6-dimethylpyridin-4-yl)acetonitrile (130138-46-4)

Guidance literature:

With zinc; In ethanol; acetic acid; for 3h; Ambient temperature;

DOI:10.1248/cpb.38.1513

upstream raw materials:

Benzenesulfonyl-(2,6-dimethyl-1H-pyridin-4-ylidene)-acetonitrile

4-bromo-2,6-dimethylpyridine

sodium cyanide

2,6-dimethyl-pyridin-4-ylmethyl chloride

Downstream raw materials:

5-amino-4-(2,6-dimethylpyridin-4-yl)-3-(4-fluorophenyl)isoxazole

5-amino-3-(4-fluorophenyl)-4-(2-methylpyridin-4-yl)isoxazole

Refernces

• 1、 -. "PYRIDYLISOXAZOLE DERIVATIVE". Page/Page column 50. . Retrieved 2009/04/23.
• 2、 Sakamoto,Katoh,Kondo,Yamanaka. "Palladium-catalyzed condensation of aryl halides with phenylsulfonylacetonitrile and diethyl cyanomethylphosphonate". . p. 1513 - 1517. Retrieved 2007/10/02.