2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

Base Information

• Chemical Name: 2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
• CAS No.: 21881-53-8
• Molecular Formula: C₁₉H₂₁ClN₂O₆
• Molecular Weight: 408.839
• DSSTox Substance ID: DTXSID601123293
• Nikkaji Number: J3.042.944C
• ChEMBL ID: CHEMBL1096521
• Mol file: 21881-53-8.mol

Synonyms:Oprea1_819833;CHEMBL1096521;DTXSID601123293;AKOS001056829;Z56883508;3,5-Diethyl 4-(2-chloro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate;2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester;21881-53-8

Chemical Property of 2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 408.1088141
• Heavy Atom Count: 28
• Complexity: 672

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OCC)C)C

Technology Process of 2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

There total 2 articles about 2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester 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: 96.0%

ethyl acetoacetate (141-97-9) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (21881-53-8)

Guidance literature:

With ammonium acetate; N-butylpyridinium tetrafluoroborate; at 100 - 110 ℃; for 3h;

DOI:10.1080/00397911.2010.525773

Reference yield:

→ diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (21881-53-8)

Guidance literature:

Aus Ethylacetoacetat + 3-Nitro-6-chlorbenzaldehyd + NH3;

upstream raw materials:

ethyl acetoacetate

2-chloro-5-nitrobenzaldehyde