2-(Dimethylamino)isonicotinonitrile

Base Information

• Chemical Name: 2-(Dimethylamino)isonicotinonitrile
• CAS No.: 80882-52-6
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• Hs Code.: 2933399090
• European Community (EC) Number: 825-850-7
• DSSTox Substance ID: DTXSID40521845
• Wikidata: Q82386606
• Mol file: 80882-52-6.mol

Synonyms:2-(dimethylamino)isonicotinonitrile;80882-52-6;2-(dimethylamino)pyridine-4-carbonitrile;SCHEMBL932647;2-dimethylaminoisonicotinonitrile;4-cyano-2-dimethylaminopyridine;DTXSID40521845;MYTZNZISOYDPSD-UHFFFAOYSA-N;AKOS000180676;SB54182;NCGC00336735-01;EN300-36388;AB01330459-02;J-506395;Z295203432

Chemical Property of 2-(Dimethylamino)isonicotinonitrile

Chemical Property:

• PSA: 39.92000
• LogP: 1.01928
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99%,98%, ^*data from raw suppliers

2-(dimethylamino)pyridine-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Dimethylamino)isonicotinonitrile

There total 2 articles about 2-(Dimethylamino)isonicotinonitrile 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:

2-chloro-4-pyridinenitrile (33252-30-1) + dimethyl amine (124-40-3) → 2-dimethylaminoisonicotinonitrile (80882-52-6)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jm070299x

Reference yield:

→ 2-dimethylaminoisonicotinonitrile (80882-52-6)

Guidance literature:

2-Chlor-4-cyanopyridin, Dimethylamin;

Reference yield: 79.0%

1-bromo-3-chlorobenzene (108-37-2) + 2-dimethylaminoisonicotinonitrile (80882-52-6) → 4-((3-chlorophenyl)(imino)methyl)-N,N-dimethylpyridin-2-amine (1260433-27-9)

Guidance literature:

1-bromo-3-chlorobenzene; With n-butyllithium; In diethyl ether; at -78 ℃; for 0.5h;

2-dimethylaminoisonicotinonitrile; In diethyl ether; at -78 - 20 ℃; for 1h;

With ammonium acetate; In methanol; diethyl ether;

upstream raw materials:

2-chloro-4-pyridinenitrile

dimethyl amine

Downstream raw materials:

1-(2-N,N-dimethylamino-4-pyridyl)-1-ethanone oxime O-tosylate

2-methylaminothioisonicotinamide

4-((3-chlorophenyl)(imino)methyl)-N,N-dimethylpyridin-2-amine

4-(4-amino-2-(3'-methoxybiphenyl-3-yl)-5-methyl-2H-imidazol-2-yl)-N,N-dimethylpyridin-2-amine

Refernces

• 1、 -. "Pyrid-2-one derivatives and methods of use". Page 65. . Retrieved 2010/02/07.