Methyl 2-(5-bromo-2-hydroxyphenyl)acetate

Base Information

• Chemical Name: Methyl 2-(5-bromo-2-hydroxyphenyl)acetate
• CAS No.: 220801-66-1
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID40443159
• Nikkaji Number: J2.736.539F
• Wikidata: Q72456813
• Mol file: 220801-66-1.mol

Synonyms:Methyl 2-(5-bromo-2-hydroxyphenyl)acetate;220801-66-1;Methyl 2-(5-bromo-2-hydroxyphenyl) acetate;MFCD07778484;SCHEMBL2400437;DTXSID40443159;WDMIWHBNMUBGHF-UHFFFAOYSA-N;VIA80166;Methyl 5-bromo-2-hydroxyphenylacetate;AKOS016001249;CS-W022786;DS-12293;SY108718;FT-0650872;EN300-7358798;J-014474;2-(5-Bromo-2-hydroxyphenyl)acetic acid methyl ester

Chemical Property of Methyl 2-(5-bromo-2-hydroxyphenyl)acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 317.143 °C at 760 mmHg
• PKA: 8.84±0.43(Predicted)
• Flash Point: 145.603 °C
• PSA: 46.53000
• Density: 1.562 g/cm³
• LogP: 1.87020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(5-bromo-2-hydroxyphenyl)acetate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=C(C=CC(=C1)Br)O

Technology Process of Methyl 2-(5-bromo-2-hydroxyphenyl)acetate

There total 2 articles about Methyl 2-(5-bromo-2-hydroxyphenyl)acetate 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%

methanol (67-56-1) + 2-Hydroxyphenylacetic acid (614-75-5) → 5-bromo-2-hydroxylphenylacetic acid methyl ester (220801-66-1)

Guidance literature:

With tetra-N-butylammonium tribromide; at 20 ℃; for 18h;

Reference yield:

methanol (67-56-1) + 2-hydroxy-5-bromo-phenylacetic acid (38692-72-7) → 5-bromo-2-hydroxylphenylacetic acid methyl ester (220801-66-1)

Guidance literature:

With acetyl chloride; at 0 - 20 ℃; for 16h;

DOI:10.1002/anie.201902985

Reference yield: 100.0%

tert-butyldimethylsilyl chloride (18162-48-6) + 5-bromo-2-hydroxylphenylacetic acid methyl ester (220801-66-1) → methyl 2-(5-bromo-2-((tert-butyldimethylsilyl)oxy)-phenyl)acetate (1333225-28-7)

Guidance literature:

With 1H-imidazole; In dichloromethane; at 20 - 25 ℃; for 8h; Inert atmosphere; Large scale;

DOI:10.1021/acs.oprd.5b00405

upstream raw materials:

methanol

2-Hydroxyphenylacetic acid

2-hydroxy-5-bromo-phenylacetic acid

Downstream raw materials:

(R)-methyl <5-bromo-2-(1-phenylethoxy)phenyl>acetate

(S)-methyl <5-bromo-2-(1-phenylethoxy)phenyl>acetate

methyl (E)-(R)-(-)-[5-(2-diethylcarbamoyl-1-methylvinyl)-2-(1-phenylethoxy)-phenyl]-acetate

methyl 2-[5-bromo-2-[4-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]benzyloxy]phenyl]acetate