5-Bromopyridine-2,3-dicarboxylic acid

Base Information

• Chemical Name: 5-Bromopyridine-2,3-dicarboxylic acid
• CAS No.: 98555-51-2
• Molecular Formula: C7H4BrNO4
• Molecular Weight: 246.017
• Hs Code.: 2933399090
• European Community (EC) Number: 863-064-6
• DSSTox Substance ID: DTXSID40573182
• Nikkaji Number: J1.689.502D
• Wikidata: Q72511961
• Mol file: 98555-51-2.mol

Synonyms:5-BROMOPYRIDINE-2,3-DICARBOXYLIC ACID;98555-51-2;5-bromo-pyridine-2,3-dicarboxylic acid;2,3-Pyridinedicarboxylic acid, 5-bromo-;MFCD07364745;5-bromo-2,3-pyridinedicarboxylic acid;SCHEMBL617721;DTXSID40573182;WDDREAGLVSBXOG-UHFFFAOYSA-N;BCP18833;AKOS004114717;CS-W009219;AC-25215;AS-18629;SY047961;5-BROMOPYRIDINE-2,3-DICARBOXYLICACID;AM20061808;5-Bromopyridine-2 pound not3-dicarboxylic acid;EN300-153270;J-517198

Chemical Property of 5-Bromopyridine-2,3-dicarboxylic acid

Chemical Property:

• Melting Point: 165 °C
• Boiling Point: 434.687 °C at 760 mmHg
• PKA: 2.13±0.10(Predicted)
• Flash Point: 216.691 °C
• PSA: 65.49000
• Density: 1.985 g/cm³
• LogP: 1.41730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 244.93237
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

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

5-Bromopyridine-2,3-dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromopyridine-2,3-dicarboxylic acid

There total 12 articles about 5-Bromopyridine-2,3-dicarboxylic 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: 55.0%

3-bromoquinoline (5332-24-1) → 5-Bromo-pyridine-2,3-dicarboxylic acid (98555-51-2)

Guidance literature:

3-bromoquinoline; With ozone;

With dihydrogen peroxide;

Reference yield: 25.0%

3-bromoquinoline (5332-24-1) + 2-methylpropyl acetate (110-19-0) → 5-Bromo-pyridine-2,3-dicarboxylic acid (98555-51-2)

Guidance literature:

With potassium permanganate; In water;

Reference yield:

→ 5-Bromo-pyridine-2,3-dicarboxylic acid (98555-51-2)

Guidance literature:

With alkaline permanganate solution;

upstream raw materials:

3-bromoquinoline

3,6-dibromoquinoline

3-bromo-6-dibromomethyl-quinoline

2-methylpropyl acetate

Downstream raw materials:

5-bromo-3-pyridinecarboxylic acid

3-bromofuro[3,4-b]pyridine-5,7-dione

5-bromo-2,3-bis(hydroxymethyl)pyridine

5-bromopyridine-2,3-dicarboxylic acid dimethyl ester

Refernces

• 1、 -. "Integrase inhibitors". Page/Page column 25-26. . Retrieved 2008/06/13.
• 2、 Gueret, C.,Bas, M. D. Le,Perrio, C.,Dauphin, F.,Dhilly, M.,Chazalviel, L.,Emond, P.,Chalon, S.,Tymciu, S.,Guilloteau, D.,Lasne, M.-C.,Barre, L.. "Synthesis and radiosynthesis with a positron emitter of EP 00652218, a potent antagonist of NK1 receptor, and of a fluoro analog for in vivo evaluation of the substance P receptor by PET". . p. S283 - S285. Retrieved 2007/10/03.