2-(3-Chlorophenyl)-2-oxoethyl acetate

Base Information

• Chemical Name: 2-(3-Chlorophenyl)-2-oxoethyl acetate
• CAS No.: 87992-00-5
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.633
• DSSTox Substance ID: DTXSID00524776
• Nikkaji Number: J3.252.121E
• Wikidata: Q82391878
• Mol file: 87992-00-5.mol

Synonyms:2-(3-Chlorophenyl)-2-oxoethyl acetate;87992-00-5;[2-(3-chlorophenyl)-2-oxoethyl] acetate;Ethanone, 2-(acetyloxy)-1-(3-chlorophenyl)-;SCHEMBL11753942;DTXSID00524776;MFCD16617692;SY286082;CS-0457753;A904244

Chemical Property of 2-(3-Chlorophenyl)-2-oxoethyl acetate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.0240218
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1=CC(=CC=C1)Cl

Technology Process of 2-(3-Chlorophenyl)-2-oxoethyl acetate

There total 5 articles about 2-(3-Chlorophenyl)-2-oxoethyl acetate 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: 87.0%

2-bromo-1-(3-chloro-phenyl)-ethanone (41011-01-2) + sodium acetate (127-09-3) → 2-(3-chlorophenyl)-2-oxoethyl acetate (87992-00-5)

Guidance literature:

With acetic acid; In ethanol; water; for 2.5h; Heating;

DOI:10.1021/jm0602256

Reference yield: 85.0%

[bis(acetoxy)iodo]benzene (3240-34-4) + m-chlorophenylacetylene (766-83-6) → 2-(3-chlorophenyl)-2-oxoethyl acetate (87992-00-5)

Guidance literature:

With silver(I) acetate; In acetonitrile; at 25 ℃; for 13h;

DOI:10.1016/j.tet.2013.04.122

Reference yield: 82.0%

3-(3-chlorophenyl)prop-2-ynoic acid (7396-28-3) → 2-(3-chlorophenyl)-2-oxoethyl 3-(3-chlorophenyl)-propiolate + 2-(3-chlorophenyl)-2-oxoethyl acetate (87992-00-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; copper 8-hydroxyquinolinate; potassium hydrogencarbonate; In water; toluene; at 70 ℃; for 6h; Autoclave;

DOI:10.1021/acs.joc.1c00669

upstream raw materials:

m-chlorophenylacetylene

acetic acid

2-bromo-1-(3-chloro-phenyl)-ethanone

sodium acetate

Downstream raw materials:

(R)-(-)-1-(3-chlorophenyl)-1,2-ethanediol

(S)-(+)-1-(3-chlorophenyl)-1,2-ethanediol

1-(3-chlorophenyl)-2-hydroxyethanone

Dimethyl ether