4-Bromo-3-hydroxybenzoic acid

Base Information

• Chemical Name: 4-Bromo-3-hydroxybenzoic acid
• CAS No.: 14348-38-0
• Molecular Formula: C7H5BrO3
• Molecular Weight: 217.019
• Hs Code.: 2918290000
• European Community (EC) Number: 630-184-3
• DSSTox Substance ID: DTXSID20423595
• Nikkaji Number: J2.034.452K
• Wikidata: Q72456816
• Mol file: 14348-38-0.mol

Synonyms:4-Bromo-3-hydroxybenzoic acid;14348-38-0;Benzoic acid, 4-bromo-3-hydroxy-;4-bromo-3-hydroxy benzoic acid;MFCD08056371;4-bromo-3-hydroxybenzoicacid;p-Brom-m-oxybenzoesaure;SCHEMBL1812684;4-Bromo-3-hydroxy-benzoic acid;DTXSID20423595;BBL101377;s5444;STL555173;AKOS005258209;AM84020;CCG-266697;CS-W003445;FS-2435;HY-W003445;PD088077;SY012255;FT-0650194;EN300-109810;J-007820;J-514727;Z1269234103

Chemical Property of 4-Bromo-3-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 3.77E-05mmHg at 25°C
• Melting Point: 225-227 °C
• Refractive Index: 1.654
• Boiling Point: 338.644 °C at 760 mmHg
• PKA: 3.85±0.10(Predicted)
• Flash Point: 158.606 °C
• PSA: 57.53000
• Density: 1.862 g/cm³
• LogP: 1.85290
• Storage Temp.: Keep Cold
• XLogP3: 2.2
• 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:

99% ^*data from raw suppliers

4-Bromo-3-hydroxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)O)Br
• Uses: Brocresine metabolite. Inhibitor of inhibited rat fetal and rat gastric histidine decarboxylase.

Technology Process of 4-Bromo-3-hydroxybenzoic acid

There total 13 articles about 4-Bromo-3-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: 91.3%

4-bromo-3-(methoxymethoxy)benzoic acid (887757-36-0) → 4-bromo-3-hydroxybenzoic acid (14348-38-0)

Guidance literature:

Reference yield: 88.9%

4-bromo-3-methoxy-benzoic acid (56256-14-5) → 4-bromo-3-hydroxybenzoic acid (14348-38-0)

Guidance literature:

Reference yield: 71.0%

4-bromo-3-iodobenzoic acid (42860-06-0) → 4-bromo-3-hydroxybenzoic acid (14348-38-0)

Guidance literature:

With copper(I) oxide; 1-D-O-Methyl-chiro-inositol; sodium hydroxide; In water; at 100 ℃; for 6h;

DOI:10.1016/j.tetlet.2020.152222

upstream raw materials:

3-Carboxyphenol

4-aminosalicylic acid

2-bromo-5-methoxy-benzoic acid

tetrachloromethane

Downstream raw materials:

methyl 4-bromo-3-methoxybenzoate

methyl 3-acetoxy-4-bromobenzoate

methyl 4-bromo-3-hydroxybenzoate

4-bromo-3-trimethylsiloxybenzoic acid trimethylsilyl ester

Refernces

• 1、 Dressler, Justin J.,Charlesworth-Seiler, Eva M.,Dahl, Bart J.. "Synthesis of a triethylene glycol-capped benzo[1,2-c:4,5-c']bis[2]benzopyran-5,12-dione: A highly soluble dilactone-bridged p-terphenyl with a crankshaft architecture". . . Retrieved 2020.
• 2、 Bhatti, Aisha,Grabovyi, Gennadii A.,Mohr, Justin T.. "Total Synthesis of Benzofuran-Based Aspergillusene B via Halogenative Aromatization of Enones". supporting information. . Retrieved 2020/06/08.