5-Bromo-2-methoxynicotinic acid

Base Information

• Chemical Name: 5-Bromo-2-methoxynicotinic acid
• CAS No.: 54916-66-4
• Molecular Formula: C7H6BrNO3
• Molecular Weight: 232.034
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID20559520
• Wikidata: Q72446261
• Mol file: 54916-66-4.mol

Synonyms:5-Bromo-2-methoxynicotinic acid;54916-66-4;5-Bromo-2-methoxy-nicotinic acid;5-bromo-2-methoxypyridine-3-carboxylic acid;5-bromo-2-methoxynicotinicacid;5-BROMO-2-METHOXY-3-PYRIDINECARBOXYLIC ACID;MFCD06656771;3-PYRIDINECARBOXYLIC ACID, 5-BROMO-2-METHOXY-;SCHEMBL316314;DTXSID20559520;SJLXURQPRRMPIV-UHFFFAOYSA-N;CS-D1068;AKOS005257697;PB10367;PS-6212;AC-23246;SY007635;A7971;AM20070196;EN300-150676;5-Bromo-2-methoxypyridine-3-carboxylic acid, 97%;J-516962

Chemical Property of 5-Bromo-2-methoxynicotinic acid

Chemical Property:

• Vapor Pressure: 9.81E-05mmHg at 25°C
• Melting Point: 156-158°C
• Refractive Index: 1.589
• Boiling Point: 324.8 °C at 760 mmHg
• PKA: 2.97±0.10(Predicted)
• Flash Point: 150.2 °C
• PSA: 59.42000
• Density: 1.713 g/cm³
• LogP: 1.55090
• Storage Temp.: Keep Cold
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 230.95311
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-methoxynicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=N1)Br)C(=O)O

Technology Process of 5-Bromo-2-methoxynicotinic acid

There total 2 articles about 5-Bromo-2-methoxynicotinic 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-methoxynicotinic acid (16498-81-0) → 5-bromo-2-methoxy-nicotinic acid (54916-66-4)

Guidance literature:

With N-Bromosuccinimide; In water; at 20 - 25 ℃; for 16h; Reagent/catalyst; Temperature;

Reference yield:

→ 5-bromo-2-methoxy-nicotinic acid (54916-66-4)

Guidance literature:

Reference yield: 91.0%

5-bromo-2-methoxy-nicotinic acid (54916-66-4) + para-fluorobenzylamine (140-75-0) → 5-bromo-N-(4-fluorobenzyl)-2-methoxynicotinamide

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

upstream raw materials:

2-methoxynicotinic acid

Downstream raw materials:

methyl 5-bromo-2-methoxy-3-pyridinecarboxylate

5-Bromo-2-methoxy-nicotinic acid ethyl ester

5-bromo-N-ethyl-2-methoxynicotinamide

5-bromo-N-(2-fluoro-6-hydroxyphenyl)-2-methoxynicotinamide