3-Phenyl-2-cyclopenten-1-one

Base Information

• Chemical Name: 3-Phenyl-2-cyclopenten-1-one
• CAS No.: 3810-26-2
• Molecular Formula: C11H10O
• Molecular Weight: 158.2
• Hs Code.: 2914399090
• European Community (EC) Number: 864-881-0
• NSC Number: 509
• UNII: 6T9VKR9HHL
• DSSTox Substance ID: DTXSID6063193
• Nikkaji Number: J79.858D
• Wikidata: Q81990552
• Mol file: 3810-26-2.mol

Synonyms:3810-26-2;3-phenylcyclopent-2-en-1-one;3-Phenyl-2-cyclopenten-1-one;3-Phenylcyclopent-2-enone;3-Phenyl-cyclopent-2-enone;2-Cyclopenten-1-one, 3-phenyl-;6T9VKR9HHL;3-phenyl-2-cyclopentenone;NSC 509;NSC-509;AI3-14814;NSC509;UNII-6T9VKR9HHL;SCHEMBL731336;DTXSID6063193;3-phenyl-cyclopent-2-en-1-one;MFCD11934406;STL227128;AKOS014320615;SB36945;CS-0308056;EN300-106436;Z1255492482

Chemical Property of 3-Phenyl-2-cyclopenten-1-one

Chemical Property:

• Vapor Pressure: 0.0515mmHg at 25°C
• Melting Point: -23°C
• Refractive Index: 1.5440 (estimate)
• Boiling Point: 234.9°C at 760 mmHg
• Flash Point: 91.8°C
• PSA: 17.07000
• Density: 1.124g/cm³
• LogP: 2.43290
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.073164938
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

3-Phenyl-cyclopent-2-enone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C=C1C2=CC=CC=C2

Technology Process of 3-Phenyl-2-cyclopenten-1-one

There total 87 articles about 3-Phenyl-2-cyclopenten-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: 94.0%

3-isobutoxy-2-cyclopentenone (5682-74-6) + phenylmagnesium bromide (100-58-3) → 3-phenyl-2-cyclopenten-1-one (3810-26-2)

Guidance literature:

3-isobutoxy-2-cyclopentenone; phenylmagnesium bromide; In tetrahydrofuran; at -40 - 20 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; at 0 - 20 ℃; for 9h; Temperature;

DOI:10.1016/j.tetlet.2019.05.032

Reference yield: 87.0%

3-ethoxycyclopent-2-en-1-one (22627-70-9) + phenyllithium (591-51-5) → 3-phenyl-2-cyclopenten-1-one (3810-26-2)

Guidance literature:

In tetrahydrofuran; diethyl ether; cyclohexane; at 20 ℃; for 16h;

DOI:10.1021/ja025603k DOI:10.1021/ol034560p

Reference yield: 86.0%

3-t-butylperoxy-1-phenylcyclopenetene → 3-phenyl-2-cyclopenten-1-one (3810-26-2)

Guidance literature:

With tert.-butylhydroperoxide; potassium carbonate; palladium on activated charcoal; In dichloromethane; at 23 ℃; for 3h;

DOI:10.1021/ol0262340

upstream raw materials:

2-methyl-5-phenyl-furan

1-phenylpentane-1,4-dione

1-phenylcyclopentanol

ethyl 2-acetyl-4-oxo-4-phenylbutanoate

Downstream raw materials:

5-methyl-2-phenyl-cyclopenta-1,3-diene

3-phenyl-cyclopent-2-enone semicarbazone

2,3-epoxy-3-phenyl-cyclopentanone

3-phenylcyclopentanone