2-Amino-4-(p-(dimethylamino)phenyl)-1,3-butadiene-1,1,3-tricarbonitrile

Base Information

• Chemical Name: 2-Amino-4-(p-(dimethylamino)phenyl)-1,3-butadiene-1,1,3-tricarbonitrile
• CAS No.: 100991-84-2
• Molecular Formula: C15H13 N5
• Molecular Weight: 263.302
• NSC Number: 659124
• Nikkaji Number: J64.607E
• ChEMBL ID: CHEMBL1966678
• Mol file: 100991-84-2.mol

Synonyms:100991-84-2;NSC659124;BRN 3365141;2-Amino-4-(p-(dimethylamino)phenyl)-1,3-butadiene-1,1,3-tricarbonitrile;(3Z)-2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile;1,3-Butadiene, 2-amino-4-(p-dimethylaminophenyl)-1,1,3-tricarbonitrile;1,3-BUTADIENE-1,1,3-TRICARBONITRILE, 2-AMINO-4-(p-(DIMETHYLAMINO)PHENYL)-;4-14-00-01953 (Beilstein Handbook Reference);1,3-BUTADIENE-1,1,3-TRICARBONITRILE, 2-AMINO-4-(p-(DIMETHYLAMINO)PHENY L)-;2-Amino-4-[p-(dimethylamino)phenyl]-1,3-butadiene-1,1,3-tricarbonitrile;HMS1476J21;CHEMBL1966678;C15H13N5;(3Z)-2-amino-4-(4-dimethylaminophenyl)buta-1,3-diene-1,1,3-tricarbonitrile;C15-H13-N5;NSC-659124;IDI1_020241;NCGC00172823-01;LS-45376;SR-01000080688;SR-01000080688-1;BRD-K59149233-001-01-7;3-Amino-2,4-dicyano-5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile

Chemical Property of 2-Amino-4-(p-(dimethylamino)phenyl)-1,3-butadiene-1,1,3-tricarbonitrile

Chemical Property:

• Vapor Pressure: 1.84E-15mmHg at 25°C
• Boiling Point: 623.4°Cat760mmHg
• Flash Point: 330.8°C
• PSA: 100.63000
• Density: 1.246g/cm³
• LogP: 2.61984
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.11709544
• Heavy Atom Count: 20
• Complexity: 543

Purity/Quality:

1,3-BUTADIENE-1,1,3-TRICARBONITRILE, 2-AMINO-4-(P-(DIMETHYLAMINO)PHENY L)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C(=C(C#N)C#N)N
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=C(C#N)C#N)N

Technology Process of 2-Amino-4-(p-(dimethylamino)phenyl)-1,3-butadiene-1,1,3-tricarbonitrile

There total 3 articles about 2-Amino-4-(p-(dimethylamino)phenyl)-1,3-butadiene-1,1,3-tricarbonitrile 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: 86.0%

1,1,2,2,-tetracyanoethane (14778-29-1) + 4-dimethylamino-benzaldehyde (100-10-7) → 2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile (100991-84-2)

Guidance literature:

With piperdinium acetate; In ethanol; at 65 - 70 ℃; for 0.166667h;

DOI:10.1134/S1070428014020171

Reference yield:

1,1,3-tricyano-2-amino-1-propene (868-54-2) + 4-dimethylamino-benzaldehyde (100-10-7) → 2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile (100991-84-2)

Guidance literature:

at 20 ℃;

DOI:10.1002/jhet.3049

Reference yield:

1,1,3-tricyano-2-amino-1-propene (868-54-2) + 4-dimethylamino-benzaldehyde (100-10-7) → 2-amino-4-(4-dimethylaminophenyl)buta-1,3-diene-1,1,3-tricarbonitrile (100991-84-2)

Guidance literature:

With methanol; piperdinium acetate;

DOI:10.1021/ja01544a061

upstream raw materials:

1,1,3-tricyano-2-amino-1-propene

4-dimethylamino-benzaldehyde

1,1,2,2,-tetracyanoethane

Downstream raw materials:

4-amino-2-[4-(dimethylamino)phenyl]-6-methoxypyridine-3,5-dicarbonitrile

ethyl 2-methyl-4-(4-dimethylaminophenyl)-5-cyano-6-(dicyanomethylidene)-1,6-dihydropyridine-3-carboxylate