Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate

Base Information

• Chemical Name: Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
• CAS No.: 73372-63-1
• Molecular Formula: C16H14N2O6
• Molecular Weight: 330.297
• UNII: 4512W12AI3
• DSSTox Substance ID: DTXSID10994087
• Nikkaji Number: J397.590H
• Wikidata: Q27258789
• ChEMBL ID: CHEMBL3544724
• Mol file: 73372-63-1.mol

Synonyms:methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-carboxy-5-pyridinecarboxylate;OPC 13463;OPC-13463

Chemical Property of Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate

Chemical Property:

• Vapor Pressure: 2.07E-09mmHg at 25°C
• Boiling Point: 464.1°Cat760mmHg
• Flash Point: 234.5°C
• Density: 1.36g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 330.08518617
• Heavy Atom Count: 24
• Complexity: 505

Purity/Quality:

99% ^*data from raw suppliers

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)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Technology Process of Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate

There total 3 articles about Monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate 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: 70.0%

nifedipine (67035-22-7) → Oxidized Nifedipine Monomethylester (73372-63-1)

Guidance literature:

With potassium hydroxide; In methanol; water;

Reference yield:

nifedipine (21829-25-4) → 2-Hydroxymethyl-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-pyridin-3-carbonsaeure (34783-31-8) + Oxidized Nifedipine Monomethylester (73372-63-1)

Guidance literature:

With sodium hypochlorite; octabromotetrakis(2,6-dichlorophenyl)porphyrin Fe(III)Cl; In water; acetonitrile; at 80 ℃; for 0.833333h; Microwave irradiation;

Reference yield:

nifedipine (21829-25-4) → 2-Hydroxymethyl-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-pyridin-3-carbonsaeure (34783-31-8) + Oxidized Nifedipine Monomethylester (73372-63-1) + 2-Methyl-4-(2-nitrophenyl)-5-oxo-5,7-dihydrofuro<3,4-b>pyridin-3-carbonsaeure (105378-62-9) + 6-Methyl-4-(2-nitro-phenyl)-pyridine-2,3,5-tricarboxylic acid 3,5-dimethyl ester (145655-14-7) + 2-((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxymethyl)-6-methyl-4-(2-nitro-phenyl)-pyridine-3,5-dicarboxylic acid dimethyl ester (145655-16-9) + 2-((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxymethyl)-6-hydroxymethyl-4-(2-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-methyl ester (145655-18-1)

Guidance literature:

Product distribution; Mechanism; biotransformation in rat and dog (5 mg/kg body weight, oral and/or intraduodenal administration); ¹⁴C-labelling;

upstream raw materials:

nifedipine

nifedipine

Refernces

• 1、 -. "Pyridyl compounds and pharmaceutical compositions containing them". . . Retrieved 2008/06/13.
• 2、 Kondo,Kuchiki,Yamamoto,Akimoto,Takahashi,Awata,Sugimoto. "Identification of nifedipine metabolites and their determination by gas chromatography". . p. 1 - 7. Retrieved 2007/10/02.