4-Bromonicotinic acid

Base Information

• Chemical Name: 4-Bromonicotinic acid
• CAS No.: 15366-62-8
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 202.007
• Hs Code.: 2933399090
• European Community (EC) Number: 687-277-7
• DSSTox Substance ID: DTXSID00376570
• Wikidata: Q72448404
• Mol file: 15366-62-8.mol

Synonyms:4-Bromonicotinic acid;15366-62-8;4-bromopyridine-3-carboxylic Acid;4-Bromo-nicotinic acid;3-PYRIDINECARBOXYLIC ACID, 4-BROMO-;MFCD04114236;4-bromonicotinicacid;3- acid - 4- bromopyridine;4-BROMO-NICOTINICACID;4-BROMO-3-PYRIDINECARBOXYLIC ACID;SCHEMBL933359;4-bromo-nicotinicacidhydrochloride;DTXSID00376570;CZLOEKRJQIAKFI-UHFFFAOYSA-N;4-Bromonicotinic acid, AldrichCPR;4-Bromo-3-pyridine carboxlic acid;BCP05403;BBL101811;STL555608;AKOS005198946;AB18009;AC-1732;CS-W007332;DS-0438;4-Bromopyridine-3-carboxylic acid, 95%;AM20050833;FT-0649640;EN300-96228;W-205747

Chemical Property of 4-Bromonicotinic acid

Chemical Property:

• Vapor Pressure: 5.02E-05mmHg at 25°C
• Melting Point: 118-134℃
• Refractive Index: 1.616
• Boiling Point: 334.5 °C at 760 mmHg
• PKA: 0.85±0.10(Predicted)
• Flash Point: 156.1 °C
• PSA: 50.19000
• Density: 1.813 g/cm³
• LogP: 1.54230
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 200.94254
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

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

4-Bromonicotinicacid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1Br)C(=O)O

Technology Process of 4-Bromonicotinic acid

There total 2 articles about 4-Bromonicotinic 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:

carbon dioxide (124-38-9,18923-20-1) + 4-bromopyridine hydrochloride (19524-06-2) → 4-bromopyridine-3-carboxylic acid (15366-62-8)

Guidance literature:

4-bromopyridine hydrochloride; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 2h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; water; pH=3 - 4;

Reference yield:

→ 4-bromopyridine-3-carboxylic acid (15366-62-8)

Guidance literature:

/BRN= 176825/, 1) POBr3, 4h bei 90grad in Bzl., 2) Prod. abfiltriert, 3) in NaHCO3-Lsg. geloest, 4) Aktivkohle, 5) HCl, ausgefaellt;

Reference yield: 50.0%

4-bromopyridine-3-carboxylic acid (15366-62-8) + 4-trifluoromethylbenzamidine (131472-28-1) → 2-(4-trifluoromethylphenyl)pyrido[4,3-d]pyrimidin-4-one (1651175-57-3)

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 13h; Inert atmosphere;

upstream raw materials:

carbon dioxide

4-bromopyridine hydrochloride

Downstream raw materials:

5-(4-cyano-3-fluoro-phenyl)-nicotinic acid ethyl ester

C₂₉H₂₃BrN₄O₃S

methyl 4-bromonicotinate

2-phenyl-3H-pyrido<4,3-d>pyrimidin-4-one

Refernces