1-(5-Chloro-2,4-dihydroxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(5-Chloro-2,4-dihydroxyphenyl)propan-1-one
• CAS No.: 85131-64-2
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• European Community (EC) Number: 658-298-9
• DSSTox Substance ID: DTXSID70393991
• Wikidata: Q82193111
• Mol file: 85131-64-2.mol

Synonyms:1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one;85131-64-2;1-Propanone, 1-(5-chloro-2,4-dihydroxyphenyl)-;1-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1-PROPANONE;SCHEMBL15364117;DTXSID70393991;AKOS000112183

Chemical Property of 1-(5-Chloro-2,4-dihydroxyphenyl)propan-1-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC(=C(C=C1O)O)Cl

Technology Process of 1-(5-Chloro-2,4-dihydroxyphenyl)propan-1-one

There total 1 articles about 1-(5-Chloro-2,4-dihydroxyphenyl)propan-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: 99.0%

4-Chlororesorcinol (95-88-5) + propionyl chloride (79-03-8) → 1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one (85131-64-2)

Guidance literature:

With boron trifluoride diethyl etherate; for 3h; Inert atmosphere;

DOI:10.1007/s00044-019-02320-w

Reference yield: 80.0%

1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one (85131-64-2) + 4-chlorobenzoylmethyl bromide (536-38-9) → 1-(5-chloro-4-(2-(4-chlorophenyl)-2-oxoethoxy)-2-hydroxyphenyl)propan-1-one

Guidance literature:

1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one; With potassium carbonate; In acetone; at 25 ℃; for 0.25h;

4-chlorobenzoylmethyl bromide; In acetone; for 3h;

DOI:10.1007/s00044-019-02320-w

Reference yield: 74.0%

1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one (85131-64-2) + bromoacetic acid methyl ester (96-32-2) → methyl 2-(2-chloro-5-hydroxy-4-propionylphenoxy)acetate

Guidance literature:

1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one; With potassium carbonate; In acetone; at 25 ℃; for 0.25h;

bromoacetic acid methyl ester; In acetone; for 3h;

DOI:10.1007/s00044-019-02320-w

upstream raw materials:

4-Chlororesorcinol

propionyl chloride

Downstream raw materials:

4-propylresorcinol

2-chloro-4-propyl-1,5-dihydroxybenzene