5-Bromo-2-hydroxynicotinic acid

Base Information

• Chemical Name: 5-Bromo-2-hydroxynicotinic acid
• CAS No.: 104612-36-4
• Molecular Formula: C6H4BrNO3
• Molecular Weight: 218.007
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID30377257
• Nikkaji Number: J1.727.204G
• Wikidata: Q72456946
• Mol file: 104612-36-4.mol

Synonyms:5-bromo-2-hydroxynicotinic acid;104612-36-4;5-bromo-2-hydroxy-3-pyridinecarboxylic acid;5-bromo-2-hydroxypyridine-3-carboxylic acid;5-Bromo-2-oxo-1,2-dihydropyridine-3-carboxylic acid;5-bromo-2-oxo-1H-pyridine-3-carboxylic Acid;MFCD07363801;5-bromo-2-hydroxy nicotinic acid;3-PYRIDINECARBOXYLIC ACID, 5-BROMO-1,2-DIHYDRO-2-OXO-;5-bromo-2-hydroxynicotinicacid;5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid;SCHEMBL429271;DTXSID30377257;5-bromo-2-hydroxy-nicotinic acid;GYXOTADLHQJPIP-UHFFFAOYSA-N;5- Bromo-2-hydroxy-nicotinic acid;CS-B0860;BBL009282;STK627252;AKOS005070647;AKOS005257854;5F-357S;AC-3580;PB32486;BP-10821;CS-10551;SY007562;5-bromo-2-hydroxy-3-pyridinecarboxylicacid;2-Hydroxy-5-bromopyridine-3-carboxylic acid;5-Bromo-2-hydroxynicotinic acid, AldrichCPR;A1922;AM20070001;B3729;FT-0642571;5-bromo-2-hydroxy-pyridine-3-carboxylic acid;5-bromo-2-hydroxyl-3-pyridinecarboxylic acid;EN300-127168;W-204530;Z905187892

Chemical Property of 5-Bromo-2-hydroxynicotinic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal
• Vapor Pressure: 5.49E-06mmHg at 25°C
• Melting Point: 287 °C
• Boiling Point: 354.7 °C at 760 mmHg
• PKA: 2.09±0.20(Predicted)
• Flash Point: 168.3 °C
• PSA: 70.16000
• Density: 2.015 g/cm³
• LogP: 0.83560
• Storage Temp.: Keep Cold
• XLogP3: 0.9
• 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:

99% ^*data from raw suppliers

5-Bromo-2-hydroxynicotinic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC=C1Br)C(=O)O

Technology Process of 5-Bromo-2-hydroxynicotinic acid

There total 3 articles about 5-Bromo-2-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: 87.0%

2-hydroxy-3-carboxypyridine (609-71-2) → 5-bromo-2-hydroxynicotinic acid (104612-36-4)

Guidance literature:

With sodium hydroxide; bromine; In water; at 0 ℃; for 0.0833333h;

2-hydroxy-3-carboxypyridine; With sodium hydroxide; In water; at 50 ℃; for 44h;

With hydrogenchloride; In water; at 0 ℃; pH=2;

Reference yield:

2-hydroxy-3-carboxypyridine (609-71-2) + sodium hypobromide → 5-bromo-2-hydroxynicotinic acid (104612-36-4)

Guidance literature:

With sodium hydroxide; bromine;

Reference yield:

→ 5-bromo-2-hydroxynicotinic acid (104612-36-4)

Guidance literature:

upstream raw materials:

2-hydroxy-3-carboxypyridine

Downstream raw materials:

5-bromofuro[2,3-b]pyridin-3(2H)-one

Refernces

• 1、 Busacca, Carl A.,Cerreta, Mike,Dong, Yong,Eriksson, Magnus C.,Farina, Vittorio,Feng, XuWu,Kim, Ji-Young,Lorenz, Jon C.,Sarvestani, Max,Simpson, Robert,Varsolona, Rieh,Vitous, Jana,Campbell, Scot J.,Davis, Mark S.,Jones, Paul-James,Norwood, Daniel,Qiu, Fenghe,Beaulieu, Pierre L.,Duceppe, Jean-Simon,Hache, Bruno,Brong, Jim,Chiu, Fang-Ting,Curtis, Tom,Kelley, Jason,Lo, Young S.,Powner, Tory H.. "Development of a pilot-plant process for a nevirapine analogue HIV NNRT inhibitor". . p. 603 - 613. Retrieved 2008.
• 2、 Van Den Bogaert, An M.,Nelissen, Jo,Ovaere, Margriet,Van Meervelt, Luc,Compernolle, Frans,De Borggraeve, Wim M.. "Synthesis of pyridodiazepinediones by using the ugi multicomponent reaction". scheme or table. p. 5397 - 5401. Retrieved 2010/11/18.