Methyl 3-bromo-4-hydroxybenzoate

Base Information

• Chemical Name: Methyl 3-bromo-4-hydroxybenzoate
• CAS No.: 29415-97-2
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918290000
• European Community (EC) Number: 681-681-7
• DSSTox Substance ID: DTXSID20406525
• Nikkaji Number: J876.374G
• Wikidata: Q82211523
• Mol file: 29415-97-2.mol

Synonyms:METHYL 3-BROMO-4-HYDROXYBENZOATE;29415-97-2;Benzoic acid, 3-bromo-4-hydroxy-, methyl ester;methyl 3-bromo-4-hydroxy-benzoate;MFCD06203850;methyl3-bromo-4-hydroxybenzoate;3-bromo-4-hydroxybenzoic acid methyl ester;SCHEMBL382159;Methyl 3-bromo-4-hydroxybenzoa;2-bromo-4-methoxycarbonyl phenol;DTXSID20406525;Methyl 4-hydroxy-3-bromobenzoate;methyl-3-bromo-4-hydroxybenzoate;Methyl 3-bromo-4- hydroxybenzoate;BCP10111;Boc-beta-(S)-4-chlorophenylalanine;ICCB1_000055;AKOS000319636;AM83155;CS-W007901;FS-3544;SB40731;NCGC00338881-01;SY009423;3-bromo-4-hydroxy-benzoic acid methyl ester;BB 0255221;FT-0658524;NS00132852;EN300-28636;methyl 3-bromo-4-hydroxybenzoate, AldrichCPR;AB01331631-02;A819893;Z111782420

Chemical Property of Methyl 3-bromo-4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.00188mmHg at 25°C
• Melting Point: 108-110℃
• Boiling Point: 283.1oC at 760 mmHg
• PKA: 6.82±0.18(Predicted)
• Flash Point: 125oC
• PSA: 46.53000
• Density: 1.627g/cm3
• LogP: 1.94130
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• 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

Methyl 3-bromo-4-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)O)Br
• Uses: A reactant used in the preparation of selective inhibitors. In unsymmetrical Ullman reaction between methyl 5bromovanillate (II) and methyl 3-bromo-4-hydroxybenzoate (III) yielded all the three possible dicarbomethoxy-dibenzo-pdioxms which were separated by repeated chromatography over silica gel. A phosphorus- and bromine-containing bifunctional monomer has been prepared from bis(chloromethyl)methylphosphine oxide and the sodium salt of methyl 3-bromo-4-hydroxybenzoate.

Technology Process of Methyl 3-bromo-4-hydroxybenzoate

There total 8 articles about Methyl 3-bromo-4-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-4-hydroxy-benzoic acid (14348-41-5) → methyl 3-bromo-4-hydroxybenzoate (29415-97-2)

Guidance literature:

With sulfuric acid; at 80 ℃; Cold solution;

Reference yield: 100.0%

→ methyl 3-bromo-4-hydroxybenzoate (29415-97-2)

Guidance literature:

Reference yield: 84.0%

di(methyl)tert-butyl(methoxy)silane (66548-21-8) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → methyl 3-bromo-4-hydroxybenzoate (29415-97-2)

Guidance literature:

With Bromotrichloromethane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; In acetonitrile; at 20 ℃; for 6h; Irradiation;

DOI:10.1055/s-0037-1610717

upstream raw materials:

methanol

3-bromo-4-hydroxy-benzoic acid

methyl 2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-enecarboxylate

methyl 4-hydroxylbenzoate

Downstream raw materials:

methyl 3-bromo-4-methoxybenzoate

3-bromo-4-hydroxy-benzoic acid

4-allyloxy-3-bromo-benzoic acid

methyl 3-bromo-4-<<(S)-1-methylheptyl>oxy>benzoate