Dipropan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Base Information

• Chemical Name: Dipropan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS No.: 21829-10-7
• Molecular Formula: C21H26N2O6
• Molecular Weight: 402.44100
• DSSTox Substance ID: DTXSID901120793
• Nikkaji Number: J1.989.055D

Synonyms:SR-01000227870;Dipropan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;Oprea1_797409;DTXSID901120793;STK827712;AKOS001046009;SR-01000227870-1;SR-01000227870-2;Z56872491;4-(4-Nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylic acid diisopropyl ester;DIISOPROPYL 2,6-DIMETHYL-4-(4-NITROPHENYL)-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE;diisopropyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;21829-10-7;3,5-Bis(1-methylethyl) 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylate

Chemical Property of Dipropan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Property:

• PSA: 110.45000
• LogP: 4.58480
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 402.17908655
• Heavy Atom Count: 29
• Complexity: 680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C

Technology Process of Dipropan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

There total 1 articles about Dipropan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate 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:

→ 4-(4-nitrophenyl)-2,6-dimethyl-3,5-diisopropyloxycarbonyl-1,4-dihydropyridine (21829-10-7)

Guidance literature:

Aus Isopropylacetoacetat + 4-Nitrobenzaldehyd + NH3;

Reference yield:

4-(4-nitrophenyl)-2,6-dimethyl-3,5-diisopropyloxycarbonyl-1,4-dihydropyridine (21829-10-7) → 4-(4-Hydroxyamino-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diisopropyl ester

Guidance literature:

With hydrazine hydrate; Rh on carbon; In tetrahydrofuran; at 25 ℃;

DOI:10.1002/ardp.19973300303

Reference yield:

4-(4-nitrophenyl)-2,6-dimethyl-3,5-diisopropyloxycarbonyl-1,4-dihydropyridine (21829-10-7) → diisopropyl 1,4-dihydro-2,6-dimethyl-4-{4-[(Z)-N-oxo-N-(phenylmethylene)-λ5-azanyl]phenyl}-3,5-pyridinedicarboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: 65percent aq. N₂H₄*H₂O / 5percent Rh-C / tetrahydrofuran / 25 °C

2: Na₂SO₄ / ethanol / 12 h / 25 °C

With hydrazine hydrate; sodium sulfate; Rh on carbon; In tetrahydrofuran; ethanol;

DOI:10.1002/ardp.19973300303

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