Methyl 2-(3-bromophenyl)-2-oxoacetate

Base Information

• Chemical Name: Methyl 2-(3-bromophenyl)-2-oxoacetate
• CAS No.: 81316-36-1
• Molecular Formula: C₉H₇BrO₃
• Molecular Weight: 243.057
• DSSTox Substance ID: DTXSID30469505
• Wikidata: Q82297264
• Mol file: 81316-36-1.mol

Synonyms:METHYL 2-(3-BROMOPHENYL)-2-OXOACETATE;81316-36-1;3-Bromo-oxo-benzeneacetic acid methyl ester;SCHEMBL1525400;DTXSID30469505;JHRVFNCYNNNVSI-UHFFFAOYSA-N;MFCD11973930;AKOS022176231;AS-63127;CS-0150928;FT-0739034;METHYL2-(3-BROMOPHENYL)-2-OXOACETATE;(3-bromo-phenyl)-oxo-acetic Acid Methyl Ester;EN300-130964

Chemical Property of Methyl 2-(3-bromophenyl)-2-oxoacetate

Chemical Property:

• Storage Temp.: 2-8°C
• 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:

95% ^*data from raw suppliers

Methyl2-(3-bromophenyl)-2-oxoacetate 95+% ^*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=C1)Br

Technology Process of Methyl 2-(3-bromophenyl)-2-oxoacetate

There total 11 articles about Methyl 2-(3-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: 76.0%

(3-bromo-phenyl)-hydroxy-acetic acid methyl ester (860771-95-5,1011722-46-5) → methyl (m-bromophenyl)glyoxylate (81316-36-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 25 ℃;

DOI:10.1016/j.tet.2005.03.118

Reference yield: 76.0%

methyl 2-(3-bromophenyl)-2-diazoacetate (264882-03-3) → methyl (m-bromophenyl)glyoxylate (81316-36-1)

Guidance literature:

With water; diethylazodicarboxylate; dirhodium tetraacetate; In toluene; for 4h; Heating;

DOI:10.1055/s-2006-950412

Reference yield: 23.0%

→ methyl (m-bromophenyl)glyoxylate (81316-36-1)

Guidance literature:

With pyridine; selenium(IV) oxide; at 110 ℃; for 20h;

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

(3-bromo-phenyl)-hydroxy-acetic acid methyl ester

methyl 2-(3-bromophenyl)-2-diazoacetate

m-bromobenzoic aldehyde

3-bromomandelic acid

Downstream raw materials:

methyl (3-bromophenyl)difluoroacetate

1-(3'-bromobenzene)-3-carboxylpyrazinone

C₁₁H₇BrN₂O₃

C₂₆H₂₆BrN₃O₄

Refernces

• 1、 -. "Method for preparing spiro beta-lactam". Paragraph 0048-0051. . Retrieved 2020/07/12.
• 2、 -. "GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES". Paragraph 000970. . Retrieved 2015/04/15.