2-Amino-4,6-dimethylisophthalonitrile

Base Information

• Chemical Name: 2-Amino-4,6-dimethylisophthalonitrile
• CAS No.: 10272-10-3
• Molecular Formula: C10H9N3
• Molecular Weight: 171.202
• European Community (EC) Number: 651-744-3
• DSSTox Substance ID: DTXSID40344672
• Nikkaji Number: J2.026.433K
• Wikidata: Q82116698
• Mol file: 10272-10-3.mol

Synonyms:10272-10-3;2-Amino-4,6-dimethylisophthalonitrile;1,3-Benzenedicarbonitrile, 2-amino-4,6-dimethyl-;2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile;2,6-dicyano-3,5-dimethylaniline;ST50442095;SCHEMBL11132382;DTXSID40344672;HMS1649G11;AKOS002310131

Chemical Property of 2-Amino-4,6-dimethylisophthalonitrile

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.079647300
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C#N)N)C#N)C

Technology Process of 2-Amino-4,6-dimethylisophthalonitrile

There total 10 articles about 2-Amino-4,6-dimethylisophthalonitrile 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%

acetylacetone (123-54-6,81235-32-7) + malononitrile (109-77-3) → 2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile (10272-10-3)

Guidance literature:

acetylacetone; malononitrile; In water; for 0.0833333h; Green chemistry;

With cellulose sulfuric acid; In water; at 20 ℃; for 8h; Solvent; Catalytic behavior; Green chemistry;

DOI:10.1002/hlca.201500242

Reference yield: 15.0%

trans-3-penten-2-one (3102-33-8) + malononitrile (109-77-3) → 2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile (10272-10-3)

Guidance literature:

With sodium methylate; In methanol; for 1.5h; Heating;

Reference yield: 15.0%

sodium methylate (124-41-4) + trans-3-penten-2-one (3102-33-8) + malononitrile (109-77-3) → 3-cyano-4,6-dimethyl-2-methoxypyridine (65515-39-1) + 2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile (10272-10-3)

Guidance literature:

In methanol; for 1.5h; Heating;

upstream raw materials:

1-methyl-4-nitrosobenzene

acetylacetone

malononitrile

4-amino-3-penten-2-one

Downstream raw materials:

2-amino-4,6-dimethyl benzamide

3,5-dimethylaminoaniline

2-bromo-1,3-dicyano-4,6-dimethylbenzene

dimethyl 2-bromo-4,6-dimethylbenzene-1,3-dicarboxylate

Refernces

• 1、 Zonouzi, Afsaneh,Izakian, Zakieh,Abdi, Khosrou,Ng, Seik Weng. "Synthesis of Fluorescent 2,6-Dicyano-3,5-Disubstituted Anilines Using Cellulose Sulfuric Acid in Aqueous Media". . p. 355 - 360. Retrieved 2016.