6-phenyltetrahydro-2H-pyran-2-one

Base Information

• Chemical Name: 6-phenyltetrahydro-2H-pyran-2-one
• CAS No.: 10413-17-9
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• NSC Number: 174846
• Nikkaji Number: J466.599F
• ChEMBL ID: CHEMBL381102
• Mol file: 10413-17-9.mol

Synonyms:6-phenyloxan-2-one;6-phenyltetrahydro-2H-pyran-2-one;10413-17-9;CHEMBL381102;NSC174846;SCHEMBL2743656;6-phenyl-tetrahydro-pyran-2-one;BDBM50180928;AKOS006309115;NSC-174846;CS-0255928

Chemical Property of 6-phenyltetrahydro-2H-pyran-2-one

Chemical Property:

• Vapor Pressure: 8.37E-05mmHg at 25°C
• Boiling Point: 340.8°C at 760 mmHg
• Flash Point: 141.5°C
• Density: 1.113g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC(=O)C1)C2=CC=CC=C2

Technology Process of 6-phenyltetrahydro-2H-pyran-2-one

There total 44 articles about 6-phenyltetrahydro-2H-pyran-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: 100.0%

5-oxo-5-phenylvaleric acid (1501-05-9) → 6-phenyltetrahydropyran-2-one (10413-17-9,51348-52-8,112607-33-7,112607-34-8)

Guidance literature:

With ammonium hydroxide; titanium(III) chloride; In methanol; at 20 - 25 ℃; for 0.0833333h; pH=10 - 11;

DOI:10.1002/1099-0690(200210)2002:19<3326::AID-EJOC3326>3.0.CO;2-V

Reference yield: 100.0%

5-oxo-5-phenylpentanal (75424-63-4) → 6-phenyltetrahydropyran-2-one (10413-17-9,51348-52-8,112607-33-7,112607-34-8)

Guidance literature:

With samarium diiodide; diphenyldisulfane; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1021/jo016058t

Reference yield: 89.0%

methyl 5-hydroxy-5-phenylpentanoate (37464-83-8) → 6-phenyltetrahydropyran-2-one (10413-17-9,51348-52-8,112607-33-7,112607-34-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 8h;

DOI:10.1016/j.tetasy.2017.05.003

upstream raw materials:

5-oxo-5-phenylvaleric acid

6-phenyl-2,2-(trimethylenedithio)tetrahydropyran

ethyl 4-(iodozincio)butanoate

benzaldehyde

Downstream raw materials:

2-(2-Diethylamino-ethyl)-6-phenyl-tetrahydro-pyran-2-ol

6-phenyltetrahydro-2H-pyran-2-ol

2,2-dimethyl-3-benzoyloxycyclohexanone

ethyl 2,2-dimethyl-3-hydroxy-7-phenyl-7-oxoheptanoate

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