2-(4-Bromophenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2-oxoacetaldehyde
• CAS No.: 5195-29-9
• Molecular Formula: C8H5 Br O2
• Molecular Weight: 213.03
• Hs Code.: 2914700090
• European Community (EC) Number: 827-490-6
• NSC Number: 32251
• DSSTox Substance ID: DTXSID00283593
• Nikkaji Number: J454.813B
• Wikidata: Q82018219
• ChEMBL ID: CHEMBL2358343
• Mol file: 5195-29-9.mol

Synonyms:2-(4-bromophenyl)-2-oxoacetaldehyde;5195-29-9;(4-BROMO-PHENYL)-OXO-ACETALDEHYDE;p-bromophenylglyoxal;MFCD09260478;4-BROMOPHENYLGLYOXAL;2-(4-Bromophenyl)-2-oxo-acetaldehyde;2-(4-bromophenyl)-2-oxoethanal;NSC32251;p-bromophenyl-glyoxal;1-(4-Bromophenyl)glyoxal;SCHEMBL3045890;CHEMBL2358343;SCHEMBL11511070;(4-bromophenyl)-oxo-acetaldehyde;DTXSID00283593;NSC 32251;NSC-32251;AKOS005203378;AB07939;NCGC00184222-01;AS-76144;CS-0186414;FT-0763278;A18832;C15912;EN300-197125;Z1269163105

Chemical Property of 2-(4-Bromophenyl)-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 0.00653mmHg at 25°C
• Boiling Point: 271.2°Cat760mmHg
• Flash Point: 105.9°C
• PSA: 34.14000
• Density: 1.584g/cm³
• LogP: 1.83070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.94729
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Bromophenyl)-2-oxoacetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C=O)Br

Technology Process of 2-(4-Bromophenyl)-2-oxoacetaldehyde

There total 14 articles about 2-(4-Bromophenyl)-2-oxoacetaldehyde 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: 100.0%

para-bromoacetophenone (99-90-1) → 4-bromophenylglyoxal (5195-29-9)

Guidance literature:

With selenium (IV) oxide; In 1,4-dioxane; water; Heating;

DOI:10.1016/j.bmcl.2008.02.037

Reference yield: 91.0%

para-bromophenacyl bromide (99-73-0,132309-76-3) → 4-bromophenylglyoxal (5195-29-9)

Guidance literature:

In water; dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmcl.2017.06.078

Reference yield: 75.0%

1-(4-bromo-phenyl)-2,2-dichloro-ethanone (7716-86-1) → 4-bromophenylglyoxal (5195-29-9)

Guidance literature:

With water; sodium carbonate; Heating;

upstream raw materials:

1-[2-(4-bromophenyl)-2-oxoethyl]quinolinium bromide

para-bromoacetophenone

para-bromophenacyl bromide

1-(4-bromo-phenyl)-2,2-dichloro-ethanone

Downstream raw materials:

5-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

methyl 2-p-bromophenyl-1-hydroxy-2-oxoethylcarbamate

ethyl 2-p-bromophenyl-1-hydroxy-2-oxoethylcarbamate

1-(4-bromophenyl)-2-hydroxy-2-phenylethanone

Refernces

• 1、 Achelle, Sylvain,Barsella, Alberto,Bure?, Filip,Charushin, Valery N.,Chupakhin, Oleg N.,Guen, Fran?oise Robin-le,Kvashnin, Yuriy A.,Rusinov, Gennady L.,Verbitskiy, Egor V.,le Poul, Pascal. "Synthesis, photophysical and nonlinear optical properties of [1,2,5]oxadiazolo[3,4-b]pyrazine-based linear push-pull systems". . . Retrieved 2020/10/02.
• 2、 Luo, Xiaosheng,Wang, Ping. "Ynonylation of Acyl Radicals by Electroinduced Homolysis of 4-Acyl-1,4-dihydropyridines". supporting information. p. 4960 - 4965. Retrieved 2021/07/20.