3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
• CAS No.: 133147-24-7
• Molecular Formula: C30H36ClN5O6
• Molecular Weight: 598.0897
• DSSTox Substance ID: DTXSID90927979
• Mol file: 133147-24-7.mol

Synonyms:133147-24-7;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester;C30H36ClN5O6;DTXSID90927979;C30-H36-Cl-N5-O6;2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-[ethoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;LS-130854

Chemical Property of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester

Chemical Property:

• Vapor Pressure: 3.47E-20mmHg at 25°C
• Boiling Point: 713.1°Cat760mmHg
• Flash Point: 385.1°C
• Density: 1.273g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 597.2354116
• Heavy Atom Count: 42
• Complexity: 1050

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCON(C)C(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C4=CC=C(C=C4)Cl)C)C

Technology Process of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester

There total 2 articles about 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl 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: 39.0%

3-nitro-benzaldehyde (99-61-6) + (E)-3-Amino-but-2-enoic acid ethoxy-methyl-amide (133147-01-0) + 3-Oxo-butyric acid 2-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethyl ester (90096-26-7) → 5-(Ethoxy-methyl-carbamoyl)-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 2-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethyl ester (133147-24-7)

Guidance literature:

In ethanol; for 5h; Heating;

Reference yield:

N-Ethoxy-N-methyl-3-oxo-butyramide (133146-86-8) → 5-(Ethoxy-methyl-carbamoyl)-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 2-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethyl ester (133147-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / methanol / 8 h / Ambient temperature

2: 39 percent / ethanol / 5 h / Heating

In methanol; ethanol;

upstream raw materials:

3-nitro-benzaldehyde

(E)-3-Amino-but-2-enoic acid ethoxy-methyl-amide

3-Oxo-butyric acid 2-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethyl ester

N-Ethoxy-N-methyl-3-oxo-butyramide