Methyl 2-(2-bromophenyl)-2-oxoacetate

Base Information

• Chemical Name: Methyl 2-(2-bromophenyl)-2-oxoacetate
• CAS No.: 122394-38-1
• Molecular Formula: C9H7BrO3
• Molecular Weight: 243.057
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50447325
• Nikkaji Number: J2.171.088A
• Wikidata: Q82266186
• Mol file: 122394-38-1.mol

Synonyms:Methyl 2-(2-bromophenyl)-2-oxoacetate;122394-38-1;methyl 2-bromophenylglyoxylate;SCHEMBL8214376;DTXSID50447325;SCPBADGYTPFIQF-UHFFFAOYSA-N;XEA39438;MFCD18206246;AKOS022176251;Methyl2-(2-bromophenyl)-2-oxoacetate;AB11679;DS-7712;2-Bromophenyloxoacetic acid methyl ester;2-Bromo-oxo-benzeneacetic acid methyl ester;(2-Bromophenyl)-oxoacetic acid methyl ester;CS-0092666;A891139;Benzeneacetic acid, 2-bromo-alpha-oxo-, methyl ester

Chemical Property of Methyl 2-(2-bromophenyl)-2-oxoacetate

Chemical Property:

• Boiling Point: 310.9±25.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.546±0.06 g/cm3(Predicted)
• LogP: 1.80480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.95786
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(2-bromophenyl)-2-oxoacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C1=CC=CC=C1Br

Technology Process of Methyl 2-(2-bromophenyl)-2-oxoacetate

There total 13 articles about Methyl 2-(2-bromophenyl)-2-oxoacetate 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: 95.0%

methyl 2-(2-bromophenyl)-2-hydroxyacetate (21165-13-9) → (2-bromophenyl)-oxoacetic acid methyl ester (122394-38-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; Ambient temperature;

DOI:10.1016/0040-4039(96)01870-9

Reference yield: 92.0%

2-bromophenyldiazoacetic acid methyl ester (264882-02-2) → (2-bromophenyl)-oxoacetic acid methyl ester (122394-38-1)

Guidance literature:

With 2,6-dichloropyridine N-oxide; In dichloromethane; at 20 ℃; for 0.166667h; Molecular sieve; Inert atmosphere;

DOI:10.1021/acs.orglett.7b03912

Reference yield: 65.0%

methyl [2-(2-bromophenyl)-2-cyano]acetate (1218951-02-0) → (2-bromophenyl)-oxoacetic acid methyl ester (122394-38-1)

Guidance literature:

With copper(l) iodide; oxygen; In acetonitrile; at 25 ℃; for 2h;

DOI:10.1002/adsc.201100431

upstream raw materials:

methyl 2-(2-bromophenyl)-2-hydroxyacetate

2-bromophenyldiazoacetic acid methyl ester

methyl 2-(2-bromophenyl)acetate

ortho-bromobenzaldehyde

Downstream raw materials:

(E)-2-(2-Bromo-phenyl)-3-methoxy-acrylic acid methyl ester

2-Ethynylphenylglyoxylic acid methyl ester-O-methyloxime

1-methyl-1H-indazole-3-carboxylic acid