2-Methyl-6-phenyl-2,3-dihydropyran-4-one

Base Information

• Chemical Name: 2-Methyl-6-phenyl-2,3-dihydropyran-4-one
• CAS No.: 16000-14-9
• Molecular Formula: C12H12O2
• Molecular Weight: 188.2225
• NSC Number: 167087
• DSSTox Substance ID: DTXSID90304726
• Mol file: 16000-14-9.mol

Synonyms:16000-14-9;2-methyl-6-phenyl-2,3-dihydropyran-4-one;NSC167087;DTXSID90304726;NSC-167087

Chemical Property of 2-Methyl-6-phenyl-2,3-dihydropyran-4-one

Chemical Property:

• Vapor Pressure: 0.00347mmHg at 25°C
• Boiling Point: 281.9°C at 760 mmHg
• Flash Point: 120.1°C
• Density: 1.11g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.083729621
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C=C(O1)C2=CC=CC=C2

Technology Process of 2-Methyl-6-phenyl-2,3-dihydropyran-4-one

There total 8 articles about 2-Methyl-6-phenyl-2,3-dihydropyran-4-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%

6-methoxy-4-phenyl-3-oxabicyclo[4.1.0]hept-4-ene → 2,3-dihydro-2-methyl-6-phenyl-4H-pyran-4-one (16000-14-9)

Guidance literature:

In 1,2-dichloro-ethane; at 85 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201700264

Reference yield: 90.0%

[2-methoxy-2-(phenylethynyl)cyclopropyl]methanol → 2,3-dihydro-2-methyl-6-phenyl-4H-pyran-4-one (16000-14-9)

Guidance literature:

With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); silver(I) 4-methylbenzenesulfonate; In 1,2-dichloro-ethane; at 85 ℃; for 12h; Inert atmosphere; Schlenk technique; Darkness;

DOI:10.1002/adsc.201700264

Reference yield: 68.0%

1-phenylhex-5-en-2-yn-1-one (829-56-1) → 2,3-dihydro-2-methyl-6-phenyl-4H-pyran-4-one (16000-14-9)

Guidance literature:

With methanol; toluene-4-sulfonic acid; at 75 ℃; for 6h;

DOI:10.1002/chem.201103771

upstream raw materials:

1-phenylhex-5-en-2-yn-1-ol

1-phenylhex-5-en-2-yn-1-one

1-Phenyl-2-propyn-1-ol

Downstream raw materials:

2-methyl-6-phenyl-pyran-4-one

1-Phenyl-4-tridecen-1,3-dion

crotonylacetophenone

(E)-1-phenylhex-4-ene-1,3-dione