Methyl 6-hydroxy-5-nitronicotinate

Base Information

• Chemical Name: Methyl 6-hydroxy-5-nitronicotinate
• CAS No.: 222970-61-8
• Molecular Formula: C₇H₆N₂O₅
• Molecular Weight: 198.135
• Hs Code.: 2933399090
• European Community (EC) Number: 625-274-4
• DSSTox Substance ID: DTXSID80579289
• Wikidata: Q72491429
• Mol file: 222970-61-8.mol

Synonyms:Methyl 6-hydroxy-5-nitronicotinate;222970-61-8;methyl 5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate;METHYL 5-NITRO-6-OXO-1H-PYRIDINE-3-CARBOXYLATE;Methyl 6-hydroxy-5-nitropyridine-3-carboxylate;5-NITRO-6-OXO-1,6-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER;MFCD10699641;SCHEMBL18038271;DTXSID80579289;Methyl6-hydroxy-5-nitronicotinate;AMY10625;XIA97061;MFCD07357382;AKOS006230705;AKOS008126038;AS-50330;SY105834;CS-0081060;EN300-39314;O11971;A878619;J-014630;Methyl 6-hydroxy-5-nitropyridine-3-carboxylate, 97%;Z382701658

Chemical Property of Methyl 6-hydroxy-5-nitronicotinate

Chemical Property:

• Vapor Pressure: 1.57E-05mmHg at 25°C
• Boiling Point: 365.4°Cat760mmHg
• Flash Point: 174.8°C
• PSA: 104.98000
• Density: 1.49g/cm³
• LogP: 0.59290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 363

Purity/Quality:

99%, ^*data from raw suppliers

Methyl5-Nitro-6-oxo-1,6-dihydropyridine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CNC(=O)C(=C1)[N+](=O)[O-]

Technology Process of Methyl 6-hydroxy-5-nitronicotinate

There total 4 articles about Methyl 6-hydroxy-5-nitronicotinate 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: 82.0%

methanol (67-56-1) + 6-hydroxy-5-nitronicotinic acid (6635-31-0) → 5-carbomethoxy-3-nitro-1H-pyridin-2-one (222970-61-8)

Guidance literature:

With sulfuric acid; at 65 ℃;

Reference yield:

6-hydroxy-3-pyridinecarboxylic acid (5006-66-6) → 5-carbomethoxy-3-nitro-1H-pyridin-2-one (222970-61-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 48 percent / red fuming HNO₃ / 70 - 80 °C

2: pyridine, SOCl₂ / acetonitrile / 2 h / Heating

3: Et₃N / acetonitrile / 2 h / Ambient temperature

With pyridine; thionyl chloride; nitric acid; triethylamine; In acetonitrile;

DOI:10.1016/S0040-4039(98)02628-8

Reference yield:

6-hydroxy-5-nitronicotinic acid (6635-31-0) → 5-carbomethoxy-3-nitro-1H-pyridin-2-one (222970-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine, SOCl₂ / acetonitrile / 2 h / Heating

2: Et₃N / acetonitrile / 2 h / Ambient temperature

With pyridine; thionyl chloride; triethylamine; In acetonitrile;

DOI:10.1016/S0040-4039(98)02628-8

upstream raw materials:

methanol

6-hydroxy-5-nitronicotinic acid

6-hydroxy-3-pyridinecarboxylic acid

Downstream raw materials:

1-methyl-5-nitro-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

3-amino-5-carbomethoxy-1H-pyridin-2-one

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