5-Phenyloxepan-2-one

Base Information

• Chemical Name: 5-Phenyloxepan-2-one
• CAS No.: 134339-50-7
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• European Community (EC) Number: 635-051-3
• DSSTox Substance ID: DTXSID30472812
• Nikkaji Number: J880.992E
• Mol file: 134339-50-7.mol

Synonyms:5-phenyloxepan-2-one;134339-50-7;gamma-Phenyl-epsilon-caprolactone;5-Phenyl-2-oxepanone;?-Phenyl-?-caprolactone;4-phenyl-epsilon-caprolactone;SCHEMBL664311;DTXSID30472812;gamma -Phenyl- epsilon -caprolactone;gamma-Phenyl-epsilon-caprolactone, >=99.0%;J-006519

Chemical Property of 5-Phenyloxepan-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 354.485°C at 760 mmHg
• Flash Point: 147.887°C
• PSA: 26.30000
• Density: 1.081g/cm³
• LogP: 2.49730
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

γ-Phenyl-ω-caprolactone ≥99.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)OCCC1C2=CC=CC=C2

Technology Process of 5-Phenyloxepan-2-one

There total 2 articles about 5-Phenyloxepan-2-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: 96.0%

1-phenyl-4-cyclohexanone (4894-75-1) → γ-phenyl-ε-caprolactone (134339-50-7)

Guidance literature:

With 1-methyl-1H-imidazole; Pentafluorobenzoic acid; dihydrogen peroxide; diisopropyl-carbodiimide; In dichloromethane; water; at 20 ℃; for 3h;

DOI:10.1021/ol8010248

Reference yield: 76.0%

C12H16O3 → γ-phenyl-ε-caprolactone (134339-50-7)

Guidance literature:

With 18-crown-6 ether; 2-(trimethylsilyl)phenyl trifluoromethanesulfonate; cesium fluoride; In acetonitrile; at 70 ℃; for 8h;

DOI:10.1021/acs.orglett.1c02702

Reference yield: 99.0%

γ-phenyl-ε-caprolactone (134339-50-7) → 3-phenylhexane-1,6-diol (1391860-11-9)

Guidance literature:

With samarium diiodide; water; triethylamine; In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c2ob00017b

upstream raw materials:

1-phenyl-4-cyclohexanone

Downstream raw materials:

6-hydroxy-4-phenylhexanal

7-benzenesulfanyl-4-phenyl-2,3,4,5-tetrahydrooxepine

7-benzenesulfinyl-4-phenyl-2,3,4,5-tetrahydrooxepine

6-(tert-Butyl-dimethyl-silanyloxy)-4-phenyl-hexanal