2-Hydroxy-5-nitronicotinic acid

Base Information

• Chemical Name: 2-Hydroxy-5-nitronicotinic acid
• CAS No.: 6854-07-5
• Molecular Formula: C6H4 N2 O5
• Molecular Weight: 184.108
• Hs Code.: 2933399090
• European Community (EC) Number: 642-763-8
• DSSTox Substance ID: DTXSID30408530
• Wikidata: Q69757140
• Mol file: 6854-07-5.mol

Synonyms:2-hydroxy-5-nitronicotinic acid;6854-07-5;2-Hydroxy-5-nitro-nicotinic acid;2-hydroxy-5-nitropyridine-3-carboxylic acid;5-Nitro-2-oxo-3-pyridinecarboxylic Acid;5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylic acid;5-nitro-2-oxo-1H-pyridine-3-carboxylic Acid;3-Pyridinecarboxylic acid, 1,2-dihydro-5-nitro-2-oxo-;MFCD05669267;2-Hydroxy-5-nitronicotinicacid;SCHEMBL1818933;5-nitro-2-hydroxynicotinic acid;DTXSID30408530;JVLVOEQOJYFQKR-UHFFFAOYSA-N;2-Hydroxy-3-carboxy-5-nitropyridine;MFCD08235034;AKOS000265593;AKOS001160396;AB22442;CS-W017019;MS-0703;AC-22851;SY020304;2-hydroxy-5-nitro-3-pyridinecarboxylic acid;AM20061440;FT-0654920;EN300-14847;A24688;AB00981964-01;J-509652;3-Pyridinecarboxylicacid, 1,2-dihydro-5-nitro-2-oxo..;Z108567064

Chemical Property of 2-Hydroxy-5-nitronicotinic acid

Chemical Property:

• Vapor Pressure: 1.17E-06mmHg at 25°C
• Melting Point: 236-240
• Boiling Point: 375.1ºC at 760 mmHg
• PKA: 1.83±0.20(Predicted)
• Flash Point: 180.6ºC
• PSA: 116.24000
• Density: 1.70±0.1 g/cm3(Predicted)
• LogP: 0.91680
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 184.01202123
• Heavy Atom Count: 13
• Complexity: 349

Purity/Quality:

99%min ^*data from raw suppliers

2-Hydroxy-5-nitronicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-5-nitronicotinic acid

There total 7 articles about 2-Hydroxy-5-nitronicotinic acid 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: 88.0%

2-hydroxy-3-carboxypyridine (609-71-2) → 2-hydroxy-5-nitropyridine-3-carboxylic acid (6854-07-5)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 50 ℃; for 4h;

Reference yield: 65.0%

→ 2-hydroxy-5-nitropyridine-3-carboxylic acid (6854-07-5)

Guidance literature:

Reference yield:

2-hydroxy-5-nitronicotinonitrile (31309-38-3) → 2-hydroxy-5-nitropyridine-3-carboxylic acid (6854-07-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01609a077

upstream raw materials:

2-hydroxy-3-carboxypyridine

2-hydroxy-5-nitronicotinonitrile

2-amino-5-nitro-nicotinic acid

2-ethoxy-5-nitro-nicotinonitrile

Downstream raw materials:

5-nitro-2-hydroxypyridine

6,9-dimethyl-3-nitropyrido<2,3-b><1,5>benzoxazepin-5(6H)-one

N-(2-hydroxy-4-methylphenyl)-2-chloro-5-nitro-3-pyridinecarboxamide

2-Amino-10-ethyl-7,8-dimethyl-10H-5-oxa-4,10-diaza-dibenzo[a,d]cyclohepten-11-one

Refernces

• 1、 Khunnawutmanotham, Nisachon,Chimnoi, Nitirat,Techasakul, Supanna,Thitithanyanont, Arunee,Saparpakorn, Patchreenart,Hannongbua, Supa,Choowongkomon, Kiattawee,Pungpo, Pornpan. "Dipyridodiazepinone derivatives; synthesis and anti HIV-1 activity". supporting information; experimental part. . Retrieved 2010/04/22.
• 2、 Sanmartin, Carmen,Dominguez, Maria Victoria,Cordeu, Lucia,Cubedo, Elena,Garcia-Foncillas, Jesus,Font, Maria,Palop, Juan Antonio. "Synthesis and biological evaluation of 2,4,6-functionalized derivatives of pyrido[2,3-d]pyrimidines as cytotoxic agents and apoptosis inducers". . p. 28 - 41. Retrieved 2008/09/21.