Furo(3,4-b)pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, methyl ester

Base Information

• Chemical Name: Furo(3,4-b)pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, methyl ester
• CAS No.: 64603-74-3
• Molecular Formula: C16H12 N2 O6
• Molecular Weight: 328.281
• DSSTox Substance ID: DTXSID70214854
• Nikkaji Number: J344.591G
• Wikidata: Q83090759

Synonyms:BAY-m 4797;BRN 4269667;64603-74-3;Furo(3,4-b)pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, methyl ester;SCHEMBL11009673;DTXSID70214854;OPC-13701;AKOS016035684;LS-70883

Chemical Property of Furo(3,4-b)pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, methyl ester

Chemical Property:

• Vapor Pressure: 1.42E-13mmHg at 25°C
• Boiling Point: 582.9°Cat760mmHg
• Flash Point: 306.3°C
• PSA: 111.31000
• Density: 1.423g/cm³
• LogP: 2.94540
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 328.06953611
• Heavy Atom Count: 24
• Complexity: 533

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(=C2C(=N1)COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Technology Process of Furo(3,4-b)pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, methyl ester

There total 15 articles about Furo(3,4-b)pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, methyl 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: 97.0%

methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,7-tetrahydro-furo<3,4-b>pyridine-3-carboxylate (88250-01-5) → methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydro-furo<3,4-b>pyridine-3-carboxylate (64603-74-3)

Guidance literature:

With sulfuric acid; nitric acid; Heating;

Reference yield: 58.0%

3-ethyl methyl 2-bromomethyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate → methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydro-furo<3,4-b>pyridine-3-carboxylate (64603-74-3)

Guidance literature:

With silver nitrate; In acetonitrile; for 20h; Ambient temperature;

DOI:10.1002/ardp.19973300804

Reference yield:

1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester (39562-70-4) → SL 5721 (64603-72-1) + 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (74936-72-4) + methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydro-furo<3,4-b>pyridine-3-carboxylate (64603-74-3) + ethyl-2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydrofuro<3,4-b>3-pyridinecarboxylate (89288-25-5) + (R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl) ester 5-methyl ester (138135-46-3) + (S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl) ester 5-methyl ester (138135-45-2)

Guidance literature:

biotransformation in rat, dog, and mouse (in vivo and in vitro);

upstream raw materials:

methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,7-tetrahydro-furo<3,4-b>pyridine-3-carboxylate

1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

methyl (E)-3-aminocrotonate

2-chloromethyl-3-carboethoxy-5-carbomethoxy-4-(m-nitro-phenyl)-6-methyl-1,4-dihydropyridine

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