Methyl 3-bromo-5-hydroxybenzoate

Base Information

• Chemical Name: Methyl 3-bromo-5-hydroxybenzoate
• CAS No.: 192810-12-1
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918290000
• European Community (EC) Number: 681-608-9
• Nikkaji Number: J2.328.565G
• Wikidata: Q106902896
• Mol file: 192810-12-1.mol

Synonyms:METHYL 3-BROMO-5-HYDROXYBENZOATE;192810-12-1;197810-12-1;3-bromo-5-hydroxybenzoic acid methyl ester;Benzoic acid, 3-bromo-5-hydroxy-, methyl ester;Methyl3-bromo-5-hydroxybenzoate;SCHEMBL1097818;KRTBWIIGEJIUSA-UHFFFAOYSA-N;methyl 3-bromo-5-hydroxylbenzoate;MFCD10566800;AKOS015834172;AS-43679;3-Bromo-5-hydroxy-benzoic acid methyl ester;CS-0146143;FT-0714655;EN300-124806;A880305;Z1269117857

Chemical Property of Methyl 3-bromo-5-hydroxybenzoate

Chemical Property:

• Melting Point: 130-135℃
• Boiling Point: 331.251 °C at 760 mmHg
• PKA: 8.19±0.10(Predicted)
• Flash Point: 154.135 °C
• PSA: 46.53000
• Density: 1.628 g/cm³
• LogP: 1.94130
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.5
• 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:

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

Methyl3-Bromo-5-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=C1)Br)O
• Uses: It is employed as intermediate for pharmaceutical.

Technology Process of Methyl 3-bromo-5-hydroxybenzoate

There total 8 articles about Methyl 3-bromo-5-hydroxybenzoate 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: 100.0%

methanol (67-56-1) + 3-bromo-5-hydroxy-benzoic acid (140472-69-1) → 3-bromo-5-hydroxy-benzoic acid methyl ester (192810-12-1)

Guidance literature:

With sulfuric acid; at 65 ℃;

DOI:10.1021/acs.jafc.6b00675

Reference yield: 96.0%

→ 3-bromo-5-hydroxy-benzoic acid methyl ester (192810-12-1)

Guidance literature:

Reference yield: 44.0%

3-amino-5-bromobenzoic acid methyl ester (706791-83-5) → 3-bromo-5-hydroxy-benzoic acid methyl ester (192810-12-1)

Guidance literature:

3-amino-5-bromobenzoic acid methyl ester; With sulfuric acid; In water; at 0 ℃; Cooling with ice;

With sodium nitrite; In water; at 0 ℃; for 0.5h; Cooling with ice; Reflux;

DOI:10.1021/ja4080024

upstream raw materials:

methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 3,5-dibromobenzoate

methanol

3-bromo-5-hydroxy-benzoic acid

Downstream raw materials:

methyl 3-hydroxy-5-(5-methylpyridin-2-yl)benzoate

C₂₀H₂₆BrNO₅

Refernces

• 1、 Park, Kaapjoo,Lee, Byoung Moon,Hyun, Kwan Hoon,Han, Taedong,Lee, Dong Hoon,Choi, Hyun Ho. "Design and synthesis of acetylenyl benzamide derivatives as novel glucokinase activators for the treatment of t2dm". . p. 296 - 301. Retrieved 2015.
• 2、 -. "NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES". Page/Page column 105. . Retrieved 2021/06/04.