2-Chloro-5-nitronicotinic acid

Base Information

• Chemical Name: 2-Chloro-5-nitronicotinic acid
• CAS No.: 42959-38-6
• Molecular Formula: C6H3ClN2O4
• Molecular Weight: 202.554
• Hs Code.: 2933399090
• European Community (EC) Number: 801-883-2
• DSSTox Substance ID: DTXSID20501908
• Wikidata: Q72455876
• Mol file: 42959-38-6.mol

Synonyms:2-Chloro-5-nitronicotinic acid;42959-38-6;2-chloro-5-nitropyridine-3-carboxylic acid;2-Chloro-5-nitro-nicotinic acid;MFCD06658402;2-Chloro-5-nitronicotinicacid;3-carboxy-2-chloro-5-nitro pyridine;2-chloro-5-nitro-pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-chloro-5-nitro-;chloro-5-nitro nicotinic acid;SCHEMBL801247;DTXSID20501908;WOFZRBCITDVRON-UHFFFAOYSA-N;AMY14279;AKOS004912285;AC-7487;CS-W015493;DE-0715;PB17367;SY020697;2-Chloro-5-nitronicotinic acid, AldrichCPR;A6966;FT-0649835;EN300-98412;J-508881

Chemical Property of 2-Chloro-5-nitronicotinic acid

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Melting Point: 140-143℃
• Refractive Index: 1.637
• Boiling Point: 384.8 °C at 760 mmHg
• PKA: 1.57±0.10(Predicted)
• Flash Point: 186.5 °C
• PSA: 96.01000
• Density: 1.702 g/cm³
• LogP: 1.86460
• Sensitive.: Moisture Sensitive
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.9781343
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): XiXi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-5-nitronicotinic acid

There total 6 articles about 2-Chloro-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: 85.0%

2-chloro-3-methyl-5-nitropyridine (22280-56-4) → 3-carboxy-2-chloro-5-nitro pyridine (42959-38-6)

Guidance literature:

With sodium dichromate; sulfuric acid; at 20 ℃;

DOI:10.1016/j.bmc.2015.01.016

Reference yield: 78.0%

2-hydroxy-5-nitropyridine-3-carboxylic acid (6854-07-5) → 3-carboxy-2-chloro-5-nitro pyridine (42959-38-6)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1021/jm00088a027

Reference yield:

2-hydroxy-3-carboxypyridine (609-71-2) + 2-chloro-3-chlorocarbonyl-5-nitropyridine (135795-55-0) → 3-carboxy-2-chloro-5-nitro pyridine (42959-38-6)

Guidance literature:

upstream raw materials:

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

2-hydroxy-3-carboxypyridine

2-chloro-3-chlorocarbonyl-5-nitropyridine

3-methylpyridin-2-ylamine

Downstream raw materials:

2-chloro-5-nitronicotinamide

Refernces

• 1、 Zhao, Chao,Yang, Su Hui,Khadka, Daulat Bikram,Jin, Yifeng,Lee, Kyung-Tae,Cho, Won-Jea. "Computer-aided discovery of aminopyridines as novel JAK2 inhibitors". . p. 985 - 995. Retrieved 2015/03/04.
• 2、 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.