2,6-Dibromo-3-pyridinecarboxylic acid

Base Information

• Chemical Name: 2,6-Dibromo-3-pyridinecarboxylic acid
• CAS No.: 55304-85-3
• Molecular Formula: C₆H₃Br₂NO₂
• Molecular Weight: 280.903
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10482813
• Nikkaji Number: J90.263B
• Wikidata: Q72464959
• Mol file: 55304-85-3.mol

Synonyms:2,6-Dibromo-3-pyridinecarboxylic acid;55304-85-3;2,6-Dibromopyridine-3-carboxylic acid;2,6-Dibromonicotinic acid;MFCD11846496;3-Pyridinecarboxylic acid, 2,6-dibromo-;SCHEMBL2964431;DTXSID10482813;JOASPXJXGMCEOX-UHFFFAOYSA-N;AKOS015835818;PB17862;AC-27887;DS-11169;SY013946;AM20061772;CS-0022361;FT-0651871;A830584

Chemical Property of 2,6-Dibromo-3-pyridinecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 150 °C
• Refractive Index: 1.652
• Boiling Point: 380.059°C at 760 mmHg
• PKA: 1.89±0.10(Predicted)
• Flash Point: 183.654°C
• PSA: 50.19000
• Density: 2.202
• LogP: 2.30480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.85100
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

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

2,6-Dibromo-3-pyridinecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dibromo-3-pyridinecarboxylic acid

There total 3 articles about 2,6-Dibromo-3-pyridinecarboxylic 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:

2,6-Dibromopyridine (626-05-1) + carbon dioxide (124-38-9,18923-20-1) → 2,6-dibromoisonicotinic acid (2016-99-1) + 2,6-dibromonicotinic acid (55304-85-3)

Guidance literature:

2,6-Dibromopyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 3.66667h;

carbon dioxide; In tetrahydrofuran; hexane; at 20 ℃;

With hydrogenchloride; In water; ethyl acetate;

Reference yield:

2,6-dibromo-pyridine-3-carbaldehyde (55304-83-1) → 2,6-dibromonicotinic acid (55304-85-3)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 20 ℃; for 2h;

Reference yield:

→ 2,6-dibromonicotinic acid (55304-85-3)

Guidance literature:

27, HBr;

DOI:10.1002/hlca.19760590125

upstream raw materials:

2,6-dibromo-pyridine-3-carbaldehyde

2,6-Dibromopyridine

carbon dioxide

Downstream raw materials:

methyl 2,6-dibromopyridine-3-carboxylate

Refernces

• 1、 -. "BICYCLIC INHIBITORS OF ANAPHASTIC LYMPHOMA KINASE". Page/Page column 143. . Retrieved 2012/08/07.
• 2、 -. "Continuous process for the production of polybromopyridine compounds". . . Retrieved 2008/06/13.