3-Hydroxy-2-phenylcyclopent-2-enone

Base Information

• Chemical Name: 3-Hydroxy-2-phenylcyclopent-2-enone
• CAS No.: 5864-79-9
• Molecular Formula: C11H10O2
• Molecular Weight: 174.2
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID30560687
• Wikidata: Q82444166
• Mol file: 5864-79-9.mol

Synonyms:3-Hydroxy-2-phenylcyclopent-2-enone;5864-79-9;3-HYDROXY-2-PHENYLCYCLOPENT-2-EN-1-ONE;hydroxyphenylcyclopentenone;DTXSID30560687;MFCD08437311;AKOS006288891;EN300-300483

Chemical Property of 3-Hydroxy-2-phenylcyclopent-2-enone

Chemical Property:

• Vapor Pressure: 4.14E-05mmHg at 25°C
• Melting Point: 233-234 °C (decomp)(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.639
• Boiling Point: 337.3°C at 760 mmHg
• PKA: 4.22±0.30(Predicted)
• Flash Point: 143.5°C
• PSA: 37.30000
• Density: 1.284g/cm³
• LogP: 2.31860
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

3-hydroxy-2-phenylcyclopent-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C(=C1O)C2=CC=CC=C2

Technology Process of 3-Hydroxy-2-phenylcyclopent-2-enone

There total 8 articles about 3-Hydroxy-2-phenylcyclopent-2-enone 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: 97.0%

2-(Ethoxy-phenyl-methyl)-2-trimethylsilanyloxy-cyclobutanone (69152-10-9) → 2-phenyl-1,3-cyclopentanedione (5864-79-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at -75 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.15227/orgsyn.065.0017

Reference yield: 97.0%

2--2-(trimethylsiloxy)-cyclobutanone (62248-60-6) → 2-phenyl-1,3-cyclopentanedione (5864-79-9)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1021/ja00318a035

Reference yield: 96.0%

3-hydroxy-2-cyclopenten-1-one (5870-62-2) + chlorobenzene (108-90-7) → 2-phenyl-1,3-cyclopentanedione (5864-79-9)

Guidance literature:

With potassium phosphate; palladium diacetate; johnphos; In 1,4-dioxane; for 12h; Heating;

DOI:10.1021/jo025883m

upstream raw materials:

2-(Hydroxy-phenyl-methyl)-2-trimethylsilanyloxy-cyclobutanone

2--2-(trimethylsiloxy)-cyclobutanone

1,2-bis(trimethylsiloxy)cyclobutene

benzaldehyde

Downstream raw materials:

3-bromo-2-phenyl-2-cyclopenten-1-one

methyl 2-phenyl-3-oxocyclopent-1-enecarboxylate

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