1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
• CAS No.: 60402-29-1
• Molecular Formula: C16H13ClO3
• Molecular Weight: 288.73
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60382859
• Wikidata: Q82174327
• ChEMBL ID: CHEMBL1463470
• Mol file: 60402-29-1.mol

Synonyms:60402-29-1;1-(4-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione;1-(2-Hydroxy-5-methylphenyl)-3-(4-chlorophenyl)-1,3-propanedione;3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxy-5-methyl-phenyl)prop-2-en-1-one;HMS2875B12;Oprea1_439080;MLS001195014;CHEMBL1463470;SCHEMBL12532247;DTXSID60382859;REGID_for_CID_2785126;MFCD00100800;STK925879;AKOS001578266;SMR000554557;SR-01000394878;SR-01000394878-1

Chemical Property of 1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione

Chemical Property:

• Vapor Pressure: 2.61E-10mmHg at 25°C
• Melting Point: 143-146°C
• Boiling Point: 487.3°C at 760 mmHg
• Flash Point: 248.5°C
• PSA: 54.37000
• Density: 1.328g/cm³
• LogP: 3.80970
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 288.0553220
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione 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)CC(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione

There total 6 articles about 1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione 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:

1-[2-(4-chlorobenzoyloxy)-5-methylphenyl]-ethanone (4010-22-4) → 1-(4-Chloro-phenyl)-3-(2-hydroxy-5-methyl-phenyl)-propane-1,3-dione (60402-29-1)

Guidance literature:

With potassium hydroxide; In pyridine; Heating;

DOI:10.1021/jo00026a020

Reference yield:

5-methyl-2-hydroxyacetophenone (1450-72-2) → 1-(4-Chloro-phenyl)-3-(2-hydroxy-5-methyl-phenyl)-propane-1,3-dione (60402-29-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: 85percent KOH / pyridine / Heating

With pyridine; potassium hydroxide; In pyridine;

DOI:10.1021/jo00026a020

Reference yield:

4-chloro-benzoyl chloride (122-01-0) → 1-(4-Chloro-phenyl)-3-(2-hydroxy-5-methyl-phenyl)-propane-1,3-dione (60402-29-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: 85percent KOH / pyridine / Heating

With pyridine; potassium hydroxide; In pyridine;

DOI:10.1021/jo00026a020

upstream raw materials:

1-[2-(4-chlorobenzoyloxy)-5-methylphenyl]-ethanone

5-methyl-2-hydroxyacetophenone

4-chloro-benzoyl chloride

p-cresol

Downstream raw materials:

2-(4-chlorophenyl)-6-((diethylamino)methyl)-4H-chromen-4-one

2-(4-chlorophenyl)-6-(piperidin-1-ylmethyl)-4H-chromen-4-one

2-(4-chlorophenyl)-6-((4-methylpiperazin-1-yl)methyl)-4H-chromen-4-one

2-(4-chlorophenyl)-6-(morpholin-4-ylmethyl)-4H-chromen-4-one

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