2-(4-Chlorophenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-oxoacetaldehyde
• CAS No.: 4998-15-6
• Molecular Formula: C8H5ClO2
• Molecular Weight: 168.579
• NSC Number: 110780
• DSSTox Substance ID: DTXSID80964479
• Nikkaji Number: J429.038K
• Wikidata: Q72457000
• ChEMBL ID: CHEMBL2354900
• Mol file: 4998-15-6.mol

Synonyms:2-(4-chlorophenyl)-2-oxoacetaldehyde;4998-15-6;p-chlorophenylglyoxal;(4-CHLORO-PHENYL)-OXO-ACETALDEHYDE;(4-chlorophenyl)(oxo)acetaldehyde;4-chlorophenylglyoxal;NSC110780;4-chloro-phenylglyoxal;SCHEMBL1673734;CHEMBL2354900;DTXSID80964479;(4-chlorophenyl)-oxo-acetaldehyde;XVVGBFGMWMOBLB-UHFFFAOYSA-N;2-oxo-2-(4-chlorophenyl)acetaldehyde;AKOS005136231;NSC-110780;NCGC00184200-01;NCGC00184200-02;(4-Chloro-phenyl)-oxo-acetaldehyde;hydrate;CS-0312080;FT-0735359;A18815;A19745;O10480

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

Chemical Property:

• Vapor Pressure: 0.0202mmHg at 25°C
• Boiling Point: 251.7°Cat760mmHg
• Flash Point: 103.3°C
• PSA: 34.14000
• Density: 1.294g/cm³
• LogP: 1.72160
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.9978071
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Chlorophenyl)-2-oxoacetaldehyde 95+% ^*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)Cl

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

There total 11 articles about 2-(4-Chlorophenyl)-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-chloroacetophenone (99-91-2) → 4-chlorophenylglyoxal (4998-15-6)

Guidance literature:

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

DOI:10.1016/j.bmcl.2008.02.037

Reference yield: 90.0%

4-chlorobenzoylmethyl bromide (536-38-9) → 4-chlorophenylglyoxal (4998-15-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; at 55 ℃; for 1.5h;

DOI:10.1248/cpb.44.885

Reference yield: 78.0%

2,2-dichloro-1-(4-chlorophenyl)ethanone (5157-57-3) → 4-chlorophenylglyoxal (4998-15-6)

Guidance literature:

With water; sodium carbonate; Heating;

upstream raw materials:

para-chloroacetophenone

4-chlorobenzoylmethyl bromide

2,2-dichloro-1-(4-chlorophenyl)ethanone

p-chlorophenacyl chloride

Downstream raw materials:

p-chlorobenzoin

2-(4-chloro-phenyl)-1-hydroxy-2-oxo-ethanesulfonic acid ; sodium-salt

1-(4-chloro-phenyl)-2-morpholin-4-ylimino-ethanone

(4-chloro-phenyl)-[3-(2-methyl-6-oxo-1,6-dihydro-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-methanone

Refernces

• 1、 Mushran, S. P.,Pandey, Lalji,Kameshwar, Singh. "Mechanism of the Oxidation of Some Substituted Acetophenones by N-Bromosuccinimide in Acidic Media". . p. 1135 - 1142. Retrieved 1980.
• 2、 ANARAKI-ARDAKANI, HOSSEIN,BERJIS, ANITA,MIRZA, BEHROOZ. "Green and efficient synthesis of new β-amido-aroyl carbonyl derivatives catalyzed by choline chloride/urea as a deep eutectic solvent". . p. 547 - 553. Retrieved 2021/07/26.
• 3、 Lipp, Alexander,Badir, Shorouk O.,Dykstra, Ryan,Gutierrez, Osvaldo,Molander, Gary A.. "Catalyst-Free Decarbonylative Trifluoromethylthiolation Enabled by Electron Donor-Acceptor Complex Photoactivation". supporting information. p. 3507 - 3520. Retrieved 2021/06/11.