2-Amino-4-methylnicotinonitrile

Base Information

• Chemical Name: 2-Amino-4-methylnicotinonitrile
• CAS No.: 71493-76-0
• Molecular Formula: C7H7N3
• Molecular Weight: 133.153
• Hs Code.: 2933399090
• European Community (EC) Number: 832-627-8
• DSSTox Substance ID: DTXSID40439158
• Wikidata: Q72435085
• Mol file: 71493-76-0.mol

Synonyms:71493-76-0;2-Amino-4-methylnicotinonitrile;2-Amino-3-cyano-4-methylpyridine;2-amino-4-methylpyridine-3-carbonitrile;2-Amino-4-methyl-nicotinonitrile;3-Pyridinecarbonitrile, 2-amino-4-methyl-;SCHEMBL1261198;DTXSID40439158;CHFXOUQUTBGLJY-UHFFFAOYSA-N;2-amino-3-cyano-4-methyl-pyridine;MFCD09030794;AKOS000164248;AC-9138;PB26426;PS-3933;CS-0054790;FT-0657622;EN300-102925;propyl[2,6-bi-1H-benzimidazol]-1-yl]methyl]-;A837207;J-507872;Z316174654

Chemical Property of 2-Amino-4-methylnicotinonitrile

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 154-155 °C(Solv: ethyl acetate (141-78-6); cyclohexane (110-82-7))
• Refractive Index: 1.579
• Boiling Point: 306.338 °C at 760 mmHg
• PKA: 3.65±0.47(Predicted)
• Flash Point: 139.069 °C
• PSA: 62.70000
• Density: 1.184 g/cm³
• LogP: 1.42508
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-Methylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4-methylnicotinonitrile

There total 7 articles about 2-Amino-4-methylnicotinonitrile 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: 82.0%

(+/-)-4-Methyl-2-(1-phenylethylamino)nicotinonitril (154420-79-8) → 2-amino-4-methylpyridine-3-carbonitrile (71493-76-0)

Guidance literature:

With PPA; at 60 ℃; for 2h;

DOI:10.1002/ardp.19943270205

Reference yield: 50.0%

2-(4-(dimethylamino)but-3-en-2-ylidene)malononitrile (71493-72-6) → 2-amino-4-methylpyridine-3-carbonitrile (71493-76-0)

Guidance literature:

With ammonia; at 150 ℃; for 3h;

DOI:10.1007/BF00508675

Reference yield: 39.0%

2-(3-ethoxy-1-methyl-(E)-2-propenylidene)malononitrile (65995-95-1) + 2-(3.3-diethoxy-1-methylpropylidene)malononitrile (65995-94-0) → 2-amino-4-methylpyridine-3-carbonitrile (71493-76-0)

Guidance literature:

With ammonia; In ethanol; for 2.25h; Heating / reflux;

upstream raw materials:

2-(4-(dimethylamino)but-3-en-2-ylidene)malononitrile

(+/-)-4-Methyl-2-(1-phenylethylamino)nicotinonitril

copper(I) cyanide

2-amino-3-bromo-4-methylpyridine

Downstream raw materials:

2-amino-4-methylnicotinic acid

7-methylimidazo[1,2-a]pyridine-8-carbonitrile

2-hydroxy-4-methylpyridine-3-carbonitrile

piritrexim