Methyl 2-(4-bromophenyl)-2-oxoacetate

Base Information

• Chemical Name: Methyl 2-(4-bromophenyl)-2-oxoacetate
• CAS No.: 57699-28-2
• Molecular Formula: C9H7BrO3
• Molecular Weight: 243.057
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80459133
• Nikkaji Number: J1.706.729J
• Wikidata: Q82282770
• Mol file: 57699-28-2.mol

Synonyms:methyl 2-(4-bromophenyl)-2-oxoacetate;57699-28-2;methyl (4-bromophenyl)(oxo)acetate;4-Bromo-oxo-benzeneacetic acid methyl ester;Methyl p-bromobenzoylformate;SCHEMBL7620437;DTXSID80459133;ZFPFIURFXDPBIP-UHFFFAOYSA-N;AMY10025;MFCD00193630;AKOS022176250;methyl2-(4-bromophenyl)-2-oxoacetate;CS-W022782;DS-7711;FT-0699445;2-(4-Bromophenyl)glyoxylic acid methyl ester;EN300-262589;A869608

Chemical Property of Methyl 2-(4-bromophenyl)-2-oxoacetate

Chemical Property:

• Melting Point: 49-51 °C
• Boiling Point: 308.5±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: 207

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(4-bromophenyl)-2-oxoacetate ^*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=C(C=C1)Br

Technology Process of Methyl 2-(4-bromophenyl)-2-oxoacetate

There total 32 articles about Methyl 2-(4-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%

α-hydroxy-(p-bromophenyl)-acetic acid methyl ester (127709-20-0) → methyl 4-bromophenylglyoxalate (57699-28-2)

Guidance literature:

With sodium bromide; In dichloromethane; water; Ambient temperature; anodic oxidation;

DOI:10.1246/cl.1994.1017

Reference yield: 90.0%

methanol (67-56-1) + STK088045 (364340-35-2) → methyl 4-bromophenylglyoxalate (57699-28-2)

Guidance literature:

With tert.-butylhydroperoxide; iodine; sodium carbonate; In 1,2-dichloro-ethane; at 60 ℃; for 7h;

DOI:10.1055/s-0036-1588833

Reference yield: 88.0%

methyl 2-(4-bromophenyl)-2-diazoacetate (264881-99-4) → methyl 4-bromophenylglyoxalate (57699-28-2)

Guidance literature:

With copper(II) sulfate; In water; at 60 ℃; for 4h;

upstream raw materials:

Dimethyl oxalate

(4-bromophenyl)magnesium bromide

methanol

α-hydroxy-(p-bromophenyl)-acetic acid methyl ester

Downstream raw materials:

methyl α-(4-bromophenyl)-α-(2-thienyl)-α-hydroxyacetate

(S)-(p-bromophenyl)-α-hydroxy-acetic acid methyl ester

methyl 2-(4-bromophenyl)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)acetate

2-hydroxy-4-oxo-2-(4-bromophenyl)pentanoic acid methyl ester