Ethyl 2-(3-bromophenyl)-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-(3-bromophenyl)-2-oxoacetate
• CAS No.: 62123-80-2
• Molecular Formula: C10H9BrO3
• Molecular Weight: 257.084
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50482539
• Nikkaji Number: J3.614.844F
• Wikidata: Q82318964
• Mol file: 62123-80-2.mol

Synonyms:62123-80-2;ethyl 2-(3-bromophenyl)-2-oxoacetate;Ethyl 3-bromobenzoyl formate;3-Bromo-oxo-benzeneacetic acid ethyl ester;MFCD07698676;SCHEMBL2006360;DTXSID50482539;SVPWKTIUMGLHFL-UHFFFAOYSA-N;ethyl2-(3-bromophenyl)-2-oxoacetate;AKOS016016980;CS-0315755;FT-0770340;(3-Bromo-phenyl)-oxo-acetic acid ethyl ester

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

Chemical Property:

• Vapor Pressure: 0.00026mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 323.6 °C at 760 mmHg
• Flash Point: 149.5 °C
• PSA: 43.37000
• Density: 1.48 g/cm³
• LogP: 2.19490
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.97351
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl3-bromobenzoylformate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about Ethyl 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: 82.0%

ethyl 2-(3-bromophenyl)-2-diazoacetate → ethyl 2-(3-bromo-phenyl)-2-oxo-acetate (62123-80-2)

Guidance literature:

With tris(pentafluorophenyl)borate; dimethyl sulfoxide; at 90 ℃; for 7h; Inert atmosphere;

DOI:10.1002/adsc.202101336

Reference yield: 81.0%

→ ethyl 2-(3-bromo-phenyl)-2-oxo-acetate (62123-80-2)

Guidance literature:

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) + ethanol (64-17-5) + chloroform (67-66-3,8013-54-5) → ethyl 2-(3-bromo-phenyl)-2-oxo-acetate (62123-80-2)

Guidance literature:

m-bromobenzoic aldehyde; chloroform; With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; at 55 - 70 ℃; for 3h;

ethanol; With sulfuric acid; for 2h; Inert atmosphere; Reflux;

upstream raw materials:

m-bromobenzoic aldehyde

ethanol

chloroform

1,3-dibromobenzene

Downstream raw materials:

3-(3-bromophenyl)-1H-quinoxalin-2-one

Refernces

• 1、 Kaur, Ravneet,Singh, Dipak,Singh, Ravi P.. "Stereoselective Synthesis of Dihydrocoumarins via [1,2]-Phospha-Brook Rearrangement in Three-Component Coupling Reaction of α-Ketoesters, o-Quinone Methides, and Dialkyl Phosphites". . p. 15702 - 15711. Retrieved 2021/11/01.
• 2、 -. "Class of large ring heterocyclic compound restraining HCV and manufacturing and uses thereof". Paragraph 0266-0270. . Retrieved 2017/09/01.