3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
• CAS No.: 133147-08-7
• Molecular Formula: C₂₃H₃₁N₃O₆
• Molecular Weight: 445.516
• DSSTox Substance ID: DTXSID80927963
• Nikkaji Number: J362.603B
• Mol file: 133147-08-7.mol

Synonyms:BRN 4277666;133147-08-7;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester;DTXSID80927963;LS-130839;2,6-Dimethyl-4-(3-nitrophenyl)-5-[(butoxyamino)carbonyl]-1,4-dihydropyridine-3-carboxylic acid 2-methylpropyl ester;N-Butoxy-2,6-dimethyl-5-[(2-methylpropoxy)carbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acid

Chemical Property of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester

Chemical Property:

• Density: 1.17g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 445.22128572
• Heavy Atom Count: 32
• Complexity: 768

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester

There total 2 articles about 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl 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: 61.0%

(E)-3-Amino-but-2-enoic acid butoxy-amide (133146-94-8) + 2-[1-(3-Nitro-phenyl)-meth-(E)-ylidene]-3-oxo-butyric acid isobutyl ester (89080-63-7) → 5-Butoxycarbamoyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid isobutyl ester (133147-08-7)

Guidance literature:

In ethanol; for 5h; Heating;

Reference yield:

N-Butoxy-3-oxo-butyramide (50890-59-0) → 5-Butoxycarbamoyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid isobutyl ester (133147-08-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / methanol / 8 h / Ambient temperature

2: 61 percent / ethanol / 5 h / Heating

In methanol; ethanol;

upstream raw materials:

(E)-3-Amino-but-2-enoic acid butoxy-amide

2-[1-(3-Nitro-phenyl)-meth-(E)-ylidene]-3-oxo-butyric acid isobutyl ester

N-Butoxy-3-oxo-butyramide