2-Amino-5-nitronicotinic acid

Base Information

• Chemical Name: 2-Amino-5-nitronicotinic acid
• CAS No.: 6760-14-1
• Molecular Formula: C6H5N3O4
• Molecular Weight: 183.123
• Hs Code.: 29339900
• European Community (EC) Number: 832-828-0
• DSSTox Substance ID: DTXSID00370311
• Nikkaji Number: J81.270F
• Wikidata: Q72440033
• Mol file: 6760-14-1.mol

Synonyms:2-amino-5-nitronicotinic acid;6760-14-1;2-amino-5-nitropyridine-3-carboxylic acid;2-Amino-5-nitronicotinicacid;2-amino-5-nitro-nicotinic acid;SCHEMBL914516;2-Amino-5-Nitro Nicotinicacid;DTXSID00370311;OVKURXPJUDVKKU-UHFFFAOYSA-N;MFCD03427671;AKOS002391483;SB53878;AS-59970;CS-0060270;FT-0658592;EN300-125584;W17957;A835823;J-507968;Z274567514

Chemical Property of 2-Amino-5-nitronicotinic acid

Chemical Property:

• Vapor Pressure: 3.68E-09mmHg at 25°C
• Melting Point: 233 °C
• Refractive Index: 1.695
• Boiling Point: 457.4 °C at 760 mmHg
• PKA: 3.43±0.10(Predicted)
• Flash Point: 230.4 °C
• PSA: 122.03000
• Density: 1.675 g/cm³
• LogP: 1.37460
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 183.02800565
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Amino-5-nitronicotinicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(=O)O)N)[N+](=O)[O-]

Technology Process of 2-Amino-5-nitronicotinic acid

There total 6 articles about 2-Amino-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: 52.0%

2-aminopyridin-3-carboxylic acid (5345-47-1) → 2-amino-5-nitro-nicotinic acid (6760-14-1)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃;

Reference yield: 14.1%

2-nitraminonicotinic acid (98139-19-6) → 2-amino-5-nitro-nicotinic acid (6760-14-1)

Guidance literature:

In methanol; for 0.333333h; Quantum yield; Irradiation;

Reference yield:

2-nitraminonicotinic acid (98139-19-6) + sulfuric acid (7664-93-9) → 2-amino-5-nitro-nicotinic acid (6760-14-1)

Guidance literature:

at 100 ℃;

upstream raw materials:

2-aminopyridin-3-carboxylic acid

2-nitraminonicotinic acid

sulfuric acid

nitric acid

Downstream raw materials:

5-nitro-pyridin-2-ylamine

2-hydroxy-5-nitropyridine-3-carboxylic acid

benzyl 3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-6-ylcarbamate

2-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-6-ylamino)-2-oxoethyl acetate

Refernces

• 1、 Sepiol, Jadwiga,Tomasik, Piotr. "SYNTHESES WITH AROMATIC NITRAMINES, VI SUBSTITUENT EFFECT IN THE PHOTOLYTIC REARRANGEMENT OF NITRAMINOPYRIDINES". . p. 333 - 338. Retrieved 2007/10/02.