2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde
• CAS No.: 38923-36-3
• Molecular Formula: C8H4 Cl2 O2
• Molecular Weight: 203.025
• Hs Code.: 2914700090
• NSC Number: 122222
• DSSTox Substance ID: DTXSID00298283
• Wikidata: Q82040005
• Mol file: 38923-36-3.mol

Synonyms:2-(3,4-dichlorophenyl)-2-oxoacetaldehyde;38923-36-3;(3,4-dichlorophenyl)(oxo)acetaldehyde;NSC122222;SCHEMBL1484306;DTXSID00298283;MDMMYRFYWOFYSV-UHFFFAOYSA-N;AKOS016015524;NSC-122222;F77925

Chemical Property of 2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 0.000938mmHg at 25°C
• Boiling Point: 303.3°Cat760mmHg
• Flash Point: 127.2°C
• PSA: 34.14000
• Density: 1.427g/cm³
• LogP: 2.37500
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.9588348
• Heavy Atom Count: 12
• Complexity: 194

Purity/Quality:

98.5% ^*data from raw suppliers

2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde

There total 4 articles about 2-(3,4-Dichlorophenyl)-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: 86.0%

2-bromo-1-(3,4-dichlorophenyl)ethanone (2632-10-2) → 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde (38923-36-3)

Guidance literature:

In water; dimethyl sulfoxide; at 50 ℃;

DOI:10.1016/j.bmcl.2017.06.078

Reference yield: 80.0%

3',4'-dichloroacetophenone (2642-63-9) → 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde (38923-36-3)

Guidance literature:

With copper(II) choride dihydrate; In dimethyl sulfoxide; at 80 ℃;

Reference yield:

→ 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde (38923-36-3)

Guidance literature:

With sulfuric acid;

upstream raw materials:

3',4'-dichloroacetophenone

2-bromo-1-(3,4-dichlorophenyl)ethanone

Downstream raw materials:

5-(3,4-dichlorophenyl)-2(1H)-pyrazinone

6-(3,4-Dichloro-phenyl)-4-oxy-1H-pyrazin-2-one

5-(3,4-Dichloro-phenyl)-pyrazine-2,3-dicarbonitrile

2-chloro-5-(3,4-dichlorophenyl)pyrazine

Refernces

• 1、 -. "Method for preparing beta-arylamino alcohol drugs such as tulobuterol, clorprenaline, dichloroisoprenaline and sotalol". Paragraph 0099. . Retrieved 2019/08/30.
• 2、 Lokhande, Pradeep D.,Waghmare, Smita R.,Gaikwad, Harsh,Hankare. "Oxidation of aryl and heteroaryl methyl ketone to aryl and heteroarylglyoxals by using CuCl2-DMSO". . p. 300 - 305. Retrieved 2013/05/08.