3-Cyano-4-methylpyridine

Base Information

• Chemical Name: 3-Cyano-4-methylpyridine
• CAS No.: 5444-01-9
• Molecular Formula: C7H6N2
• Molecular Weight: 118.138
• Hs Code.: 29333990
• NSC Number: 19882
• DSSTox Substance ID: DTXSID70281046
• Nikkaji Number: J2.402.933F
• Wikidata: Q72458609
• Mol file: 5444-01-9.mol

Synonyms:4-methyl-3-cyanopyridine

Chemical Property of 3-Cyano-4-methylpyridine

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.061mmHg at 25°C
• Melting Point: 41-44 °C
• Refractive Index: 1.531
• Boiling Point: 231.723 °C at 760 mmHg
• PKA: 2.45±0.18(Predicted)
• Flash Point: 92.223 °C
• PSA: 36.68000
• Density: 1.084 g/cm³
• LogP: 1.26168
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• 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

3-Cyano-4-methylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-36/38-22
• Safety Statements: 22-36/37/39-36-26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NC=C1)C#N
• Uses: 3-Cyano-4-methylpyridine, is an intermediate for the synthesis of various pharmaceutical compounds, including inhibitors and anticancer agents. It can be used for the preparation of a series of azaindenoisoquinoline topoisomerase I I inhibitors and potential anticancer agents.

Technology Process of 3-Cyano-4-methylpyridine

There total 19 articles about 3-Cyano-4-methylpyridine 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: 93.0%

2,6-dichloro-4-methylnicotinonitrile (875-35-4) → 3-cyano-4-methylpyridine (5444-01-9)

Guidance literature:

With hydrogen; sodium acetate; palladium dichloride; In methanol; at 23 ℃; for 14h; under 760.051 Torr;

DOI:10.1021/jm201512x

Reference yield: 85.0%

2,6-dichloro-4-methylnicotinonitrile (875-35-4) + palladium dichloride → 3-cyano-4-methylpyridine (5444-01-9)

Guidance literature:

With sodium acetate; In methanol;

Reference yield: 82.0%

zinc(II) cyanide (557-21-1) + 3-Bromo-4-methylpyridin (3430-22-6) → 3-cyano-4-methylpyridine (5444-01-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; zinc; In N,N-dimethyl-formamide; at 100 ℃; for 16h; Inert atmosphere;

upstream raw materials:

2-Amino-4-methylpyridine

chloroform

pyridine-3-carbonitrile

methanol

Downstream raw materials:

4-methylnicotinic acid

4-methyl-3-pyridinecarboxamide

4-(trans-2-furan-2-yl-vinyl)-nicotinamide

4-(trans-2-thiophen-2-yl-vinyl)-nicotinamide