3-Bromo-5-methoxybenzoic acid

Base Information

• Chemical Name: 3-Bromo-5-methoxybenzoic acid
• CAS No.: 157893-14-6
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918990090
• European Community (EC) Number: 630-199-5
• DSSTox Substance ID: DTXSID50398888
• Wikidata: Q72446071
• Mol file: 157893-14-6.mol

Synonyms:3-bromo-5-methoxybenzoic acid;157893-14-6;3-bromo-5-methoxybenzoicacid;BENZOIC ACID, 3-BROMO-5-METHOXY-;MFCD00266858;3-bromo-5-methoxy-benzoic Acid;SCHEMBL585918;DTXSID50398888;DMXJBCHYVUGXEH-UHFFFAOYSA-N;3-bromo-5-(methyloxy)benzoic acid;CL8075;AKOS007930663;AB05500;AM84001;CS-W007621;FS-3545;A3472;FT-0651161;EN300-114382;J-512030;Z1269197290

Chemical Property of 3-Bromo-5-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 3.74E-05mmHg at 25°C
• Melting Point: 190-191 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.583
• Boiling Point: 338.8 °C at 760 mmHg
• PKA: 3.69±0.10(Predicted)
• Flash Point: 158.7 °C
• PSA: 46.53000
• Density: 1.625 g/cm³
• LogP: 2.15590
• Storage Temp.: Room temperature.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.95786
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)O)Br

Technology Process of 3-Bromo-5-methoxybenzoic acid

There total 7 articles about 3-Bromo-5-methoxybenzoic 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: 62.0%

2-amino-5-bromo-3-methoxy benzoic acid (864293-44-7) → 3-bromo-5-methoxybenzoic acid (157893-14-6)

Guidance literature:

2-amino-5-bromo-3-methoxy benzoic acid; With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; for 0.5h;

With sodium nitrite; In tetrahydrofuran; water;

With hypophosphorous acid; In tetrahydrofuran; water; at 20 ℃;

Reference yield: 62.0%

2-amino-5-bromo-3-methoxy benzoic acid (864293-44-7) + hypophosphorous acid (6303-21-5) → 3-bromo-5-methoxybenzoic acid (157893-14-6)

Guidance literature:

2-amino-5-bromo-3-methoxy benzoic acid; With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃;

With sodium nitrite; In tetrahydrofuran; water; for 2h;

hypophosphorous acid; In tetrahydrofuran; water; at 20 ℃;

Reference yield: 50.0%

3-bromo-5-methoxytoluene (29578-83-4) → 3-bromo-5-methoxybenzoic acid (157893-14-6)

Guidance literature:

With pyridine; potassium permanganate; at 75 ℃; for 24h;

DOI:10.1021/jm991034o

upstream raw materials:

3-bromo-5-hydroxy-benzoic acid

dimethyl sulfate

3-bromo-5-methoxytoluene

3-bromo-5-methoxybenzonitrile

Downstream raw materials:

(3-bromo-5-methoxyphenyl)methanol

3-bromo-5-methoxybenzaldehyde

2-(3-bromo-5-methoxyphenyl)ethylamine

1-(2-benzyloxybenzyl)-8-bromo-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline