5-Bromo-6-hydroxynicotinic acid

Base Information

• Chemical Name: 5-Bromo-6-hydroxynicotinic acid
• CAS No.: 41668-13-7
• Molecular Formula: C6H4BrNO3
• Molecular Weight: 218.007
• Hs Code.: 29333990
• European Community (EC) Number: 692-351-7
• DSSTox Substance ID: DTXSID30377398
• Wikidata: Q72456942
• Mol file: 41668-13-7.mol

Synonyms:5-bromo-6-hydroxynicotinic acid;41668-13-7;5-Bromo-6-hydroxypyridine-3-carboxylic acid;5-bromo-6-oxo-1H-pyridine-3-carboxylic Acid;5-Bromo-6-hydroxy-3-pyridinecarboxylic acid;5-bromo-6-hydroxynicotinicacid;5-bromo-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid;5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-;MFCD08235173;6-Hydroxy-5-bromonicotinic acid;5-Bromo-6-hydroxy-nicotinic acid;SCHEMBL1505622;DTXSID30377398;PQDLYKZCJBGXPQ-UHFFFAOYSA-N;5-BROMO-1,6-DIHYDRO-6-OXO-3-PYRIDINECARBOXYLIC ACID;5-Bromo-6-Hydroxy Nicotinic Acid;CL0229;MFCD03791237;AKOS005071133;AKOS005255572;CS-W003480;AM808267;CS-10552;SY007563;3-Bromo-2-hydroxy-5-pyridinecarboxylic acid;5-Bromo-6-hydroxynicotinic acid, AldrichCPR;A6860;B5193;FT-0650465;5-bromo-6-hydroxy-pyridine-3-carboxylic acid;EN300-90349;7W-0338;J-517128;F1907-2335;Z1259335940

Chemical Property of 5-Bromo-6-hydroxynicotinic acid

Chemical Property:

• Vapor Pressure: 8.98E-06mmHg at 25°C
• Melting Point: >300 °C
• Refractive Index: 1.653
• Boiling Point: 348.1 °C at 760 mmHg
• PKA: 3.38±0.50(Predicted)
• Flash Point: 164.3 °C
• PSA: 70.16000
• Density: 2.015 g/cm³
• LogP: 0.83560
• Storage Temp.: Keep Cold
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 216.93746
• Heavy Atom Count: 11
• Complexity: 280

Purity/Quality:

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

5-Bromo-6-hydroxynicotinic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC=C1C(=O)O)Br

Technology Process of 5-Bromo-6-hydroxynicotinic acid

There total 6 articles about 5-Bromo-6-hydroxynicotinic 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: 100.0%

6-hydroxy-3-pyridinecarboxylic acid (5006-66-6) → 5-bromo-6-hydroxy-3-pyridinecarboxylic acid (41668-13-7)

Guidance literature:

With bromine; acetic acid; at 45 - 50 ℃; for 18.75h; Inert atmosphere;

DOI:10.1021/jm4010708

Reference yield: 91.0%

6-hydroxy-3-pyridinecarboxylic acid (5006-66-6) → 5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid (41668-13-7)

Guidance literature:

With bromine; acetic acid; at 60 ℃; for 12h;

Reference yield:

6-hydroxynicotinic acid (5006-66-6) → 5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid (41668-13-7)

Guidance literature:

With bromine; acetic acid; at 45 - 50 ℃;

upstream raw materials:

methyl 5-bromo-6-hydroxypyridine-3-carboxylate

6-hydroxy-3-pyridinecarboxylic acid

methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate

6-hydroxynicotinic acid

Downstream raw materials:

methyl 5 -bromo-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

methyl 5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate

Refernces

• 1、 -. "CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR". Paragraph 0042; 0562; 0563. . Retrieved 2014/02/16.
• 2、 -. "CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR". Page/Page column 39-40; 139. . Retrieved 2012/11/06.