1,2,6-Trimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

Base Information

• Chemical Name: 1,2,6-Trimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
• CAS No.: 61322-84-7
• Molecular Formula: C16H14N4O2
• Molecular Weight: 294.313
• DSSTox Substance ID: DTXSID60547466
• Mol file: 61322-84-7.mol

Synonyms:61322-84-7;DTXSID60547466;1,2,6-Trimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

Chemical Property of 1,2,6-Trimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 294.11167570
• Heavy Atom Count: 22
• Complexity: 613

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1C)C)C#N)C2=CC=CC=C2[N+](=O)[O-])C#N

Technology Process of 1,2,6-Trimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

There total 1 articles about 1,2,6-Trimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile 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: 66.0%

3,5-Dicyano-2,6-dimethyl-4-(o-nitrophenyl)-1,4-dihydropyridine (53055-16-6) + dimethyl sulfate (77-78-1) → 3,5-Dicyano-1,2,6-trimethyl-4-(o-nitrophenyl)-1,4-dihydropyridine (61322-84-7)

Guidance literature:

With sodium hydroxide; In acetone; at 5 - 10 ℃; for 0.166667h; Heating;

DOI:10.1007/BF00475478

Reference yield: 20.0%

3,5-Dicyano-1,2,6-trimethyl-4-(o-nitrophenyl)-1,4-dihydropyridine (61322-84-7) → 3,5-Dicyano-1,2,6-trimethyl-4-(2-nitro-phenyl)-pyridinium; perchlorate

Guidance literature:

With perchloric acid; dihydrogen peroxide; In ethanol; Heating; 6-8 h;

DOI:10.1007/BF00475478

Reference yield:

3,5-Dicyano-1,2,6-trimethyl-4-(o-nitrophenyl)-1,4-dihydropyridine (61322-84-7) → C16H14N4O2(2-)

Guidance literature:

With tetrabutylammonium tetrafluorophosphate; In N,N-dimethyl-formamide; Product distribution;

DOI:10.1007/BF00633503

upstream raw materials:

3,5-Dicyano-2,6-dimethyl-4-(o-nitrophenyl)-1,4-dihydropyridine

dimethyl sulfate