1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione

Base Information

• Chemical Name: 1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione
• CAS No.: 5067-23-2
• Molecular Formula: C16H13 Cl O3
• Molecular Weight: 288.73
• Hs Code.: 2914700090
• European Community (EC) Number: 637-140-2
• Nikkaji Number: J2.214.390E
• Mol file: 5067-23-2.mol

Synonyms:5067-23-2;1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione;1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenylpropane-1,3-dione;SCHEMBL7648031;AKOS024370896;FT-0635529

Chemical Property of 1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione

Chemical Property:

• Vapor Pressure: 1.32E-10mmHg at 25°C
• Melting Point: 120-123 °C(lit.)
• Boiling Point: 494.7°C at 760 mmHg
• Flash Point: 253°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: 363

Purity/Quality:

98%Min ^*data from raw suppliers

1-(5-CHLORO-2-HYDROXY-4-METHYLPHENYL)-3-PHENYLPROPANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)C(=O)CC(=O)C2=CC=CC=C2)O

Technology Process of 1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione

There total 1 articles about 1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione 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-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione (5067-23-2)

Guidance literature:

a.d. Aroylacetophenon;

Reference yield: 96.0%

1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione (5067-23-2) → 6-chloro-7-methyl-2-phenyl-chromen-4-one (147919-60-6)

Guidance literature:

copper dichloride; In ethanol; for 0.0833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.07.038

Reference yield: 40.0%

1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione (5067-23-2) + phenylacetaldehyde (122-78-1) → 6-Chloro-7-methyl-2-phenyl-3-((E)-styryl)-chromen-4-one

Guidance literature:

With acetic acid; In ethanol; for 48h; Heating;

DOI:10.1016/S0040-4039(99)01301-5

Downstream raw materials:

6-chloro-7-methyl-2-phenyl-chromen-4-one