2-Chloro-1-(2-hydroxy-5-methylphenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2-hydroxy-5-methylphenyl)ethanone
• CAS No.: 22307-94-4
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.622
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10398526
• Nikkaji Number: J2.228.290E
• Wikidata: Q82200563
• Mol file: 22307-94-4.mol

Synonyms:2-chloro-1-(2-hydroxy-5-methylphenyl)ethanone;22307-94-4;2-chloro-1-(2-hydroxy-5-methylphenyl)ethan-1-one;2-Chloro-2'-hydroxy-5'-methylacetophenone;2-chloroacetyl-4-methylphenol;SCHEMBL11213739;2-(Chloroacetyl)-4-methylphenol;DTXSID10398526;PCOICSAGVLNDFL-UHFFFAOYSA-N;MFCD00661632;STK149397;AKOS000112376;LS-07498;CS-0281134;EN300-1983273

Chemical Property of 2-Chloro-1-(2-hydroxy-5-methylphenyl)ethanone

Chemical Property:

• PSA: 37.30000
• LogP: 2.12210
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-1-(2-hydroxy-5-methylphenyl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C(=O)CCl

Technology Process of 2-Chloro-1-(2-hydroxy-5-methylphenyl)ethanone

There total 11 articles about 2-Chloro-1-(2-hydroxy-5-methylphenyl)ethanone 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:

p-cresol (106-44-5) + chloroacetonitrile (59354-24-4) → 2-chloroacetyl-4-methylphenol (22307-94-4)

Guidance literature:

With aluminum (III) chloride; boron trichloride; In dichloromethane; at 0 - 25 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.02.048

Reference yield:

2-chloroacetic acid 4-methylphenyl ester (15150-39-7) → 2-chloroacetyl-4-methylphenol (22307-94-4)

Guidance literature:

With aluminium trichloride; at 140 ℃;

Reference yield:

2-chloroacetic acid 4-methylphenyl ester (15150-39-7) → 2-chloroacetyl-4-methylphenol (22307-94-4)

Guidance literature:

With aluminium trichloride; at 140 ℃;

upstream raw materials:

2-chloroacetic acid 4-methylphenyl ester

1-(2-acetoxy-5-methyl-phenyl)-2-chloro-ethanone

p-cresol

chloroacetic acid

Downstream raw materials:

(2-hydroxy-5-methylphenacyl)pyridinium chloride

5-methyl-benzofuran-3-one

5-methyl-2-hydroxyacetophenone

2',4'-Dimethoxy-3-hydroxy-6-methylflavone

Refernces

• 1、 Mamatkulov,Abdushukurov,Khidirov,Rakhmonova. "Synthesis and rearrangement of p-tolyl chloroacetate". . p. 1668 - 1669. Retrieved 2007/10/03.