1-(3-Chloro-2-hydroxyphenyl)-2-phenylethan-1-one

Base Information

• Chemical Name: 1-(3-Chloro-2-hydroxyphenyl)-2-phenylethan-1-one
• CAS No.: 70331-83-8
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• DSSTox Substance ID: DTXSID80570317
• Wikidata: Q82457718
• Mol file: 70331-83-8.mol

Synonyms:70331-83-8;1-(3-Chloro-2-hydroxyphenyl)-2-phenylethan-1-one;SCHEMBL9061917;DTXSID80570317

Chemical Property of 1-(3-Chloro-2-hydroxyphenyl)-2-phenylethan-1-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.0447573
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=C(C(=CC=C2)Cl)O

Technology Process of 1-(3-Chloro-2-hydroxyphenyl)-2-phenylethan-1-one

There total 2 articles about 1-(3-Chloro-2-hydroxyphenyl)-2-phenylethan-1-one 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:

2-monochlorophenol (95-57-8) + phenylacetyl chloride (103-80-0) → 2-hydroxy-3-chloro-phenyl-benzyl-ketone (70331-83-8)

Guidance literature:

aluminium trichloride; In 1,1-dichloroethane;

Reference yield:

2-chlorophenyl phenylacetate (56379-65-8) → 2-hydroxy-3-chloro-phenyl-benzyl-ketone (70331-83-8) + 1-(3-chloro-4-hydroxyphenyl)-2-phenylethan-1-one (6315-31-7)

Guidance literature:

With methanesulfonic acid; Methanesulfonic anhydride; at 65 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1055/s-0032-1316568

upstream raw materials:

2-monochlorophenol

phenylacetyl chloride

2-chlorophenyl phenylacetate