2-Bromo-6-hydroxybenzoic acid

Base Information

• Chemical Name: 2-Bromo-6-hydroxybenzoic acid
• CAS No.: 38876-70-9
• Molecular Formula: C7H5BrO3
• Molecular Weight: 217.019
• Hs Code.: 2918290000
• European Community (EC) Number: 806-622-6
• DSSTox Substance ID: DTXSID70477745
• Nikkaji Number: J1.245.204G
• Wikidata: Q82310636
• Mol file: 38876-70-9.mol

Synonyms:2-Bromo-6-hydroxybenzoic acid;38876-70-9;2-Bromo-6-hydroxybenzoicacid;Benzoic acid, 2-bromo-6-hydroxy-;SCHEMBL4147953;DTXSID70477745;LSIRNJUVADUUAN-UHFFFAOYSA-N;BCP30623;MFCD13193059;AKOS016006381;MB13463;PS-3956;FT-0712570;J-508465;6-Bromosalicylic acid pound>>Benzoic acid, 2-bromo-6-hydroxy-

Chemical Property of 2-Bromo-6-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 8.59E-05mmHg at 25°C
• Boiling Point: 326.7oC at 760 mmHg
• Flash Point: 151.4oC
• PSA: 57.53000
• Density: 1.861g/cm3
• LogP: 1.85290
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.94221
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-6-hydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)O
• Uses: 2-Bromo-6-hydroxybenzoic Acid is used in preparation of Phenoxy- and Phenylthiopyrimidine derivatives as herbicides.

Technology Process of 2-Bromo-6-hydroxybenzoic acid

There total 5 articles about 2-Bromo-6-hydroxybenzoic 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: 94.0%

methyl 2-bromo-6-hydroxybenzoate (113763-37-4) → 4-bromo-2-hydroxybenzoic acid (38876-70-9)

Guidance literature:

methyl 2-bromo-6-hydroxybenzoate; With methanol; sodium hydroxide; at 80 ℃; for 5h;

With hydrogenchloride; In water; at 20 ℃; pH=~ 1.0; Product distribution / selectivity;

Reference yield:

3-Bromophenol (591-20-8) + carbon dioxide (124-38-9,18923-20-1) → 4-bromosalicylic acid (1666-28-0) + 4-bromo-2-hydroxybenzoic acid (38876-70-9)

Guidance literature:

3-Bromophenol; With Mesitol; sodium hydride; In mineral oil; at 100 ℃; for 0.0833333h; Glovebox;

carbon dioxide; In mineral oil; at 185 ℃; for 2h; under 760.051 Torr; Overall yield = 79 %; Overall yield = 43.0 mg;

DOI:10.1002/chem.201601114

Reference yield:

N,N-diethylsalicylamide (19311-91-2) → 4-bromo-2-hydroxybenzoic acid (38876-70-9)

Guidance literature:

Multi-step reaction with 4 steps

1.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h / 20 °C

2.1: n-butyllithium / tetrahydrofuran; pentane / 1 h / -78 °C

2.2: 20.5 h / -78 - 20 °C

3.1: disodium hydrogenphosphate / acetonitrile / 16 h / 20 °C

4.1: methanol; sodium hydroxide / 5 h / 80 °C

4.2: 20 °C / pH ~ 1.0

With methanol; sodium hydroxide; disodium hydrogenphosphate; n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile; pentane;

upstream raw materials:

methyl 2-bromo-6-hydroxybenzoate

3-Bromophenol

carbon dioxide

N,N-diethylsalicylamide

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