3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran

Base Information

• Chemical Name: 3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran
• CAS No.: 68039-40-7
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• European Community (EC) Number: 268-256-8
• DSSTox Substance ID: DTXSID90867447
• Nikkaji Number: J288.963C
• Mol file: 68039-40-7.mol

Synonyms:3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran;68039-40-7;2,4-dimethyl-6-phenyl-3,6-dihydro-2H-pyran;4,6-Dimethyl-2-phenyl-1-oxacyclohex-3-ene;EINECS 268-256-8;2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-;5,6-Dihydro-4,6-dimethyl-2-phenyl-2H-pyran;SCHEMBL1472469;DTXSID90867447;2H-PYRAN,3,6-DIHYDRO-4,6-DIMETHYL-2-PHENYL-;3,6 - dihydro - 2,4 - dimethyl - 6 - phenyl - 2H - pyran

Chemical Property of 3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran

Chemical Property:

• Vapor Pressure: 0.00813mmHg at 25°C
• Boiling Point: 276.3°C at 760 mmHg
• Flash Point: 116.7°C
• PSA: 9.23000
• Density: 0.975g/cm³
• LogP: 3.48280
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran

There total 3 articles about 3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran 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:

4-methyl-4-penten-2-ol (2004-67-3) + benzaldehyde (100-52-7) → 2,4-Dimethyl-6-phenyl-3,6-dihydro-2H-pyran (68039-40-7)

Guidance literature:

With sulfuric acid; Erhitzen des Reaktionsprodukts mit Kaliumhydrogensulfat auf 150grad;

DOI:10.1021/ja01168a098 DOI:10.1016/0040-4020(57)88003-X

Reference yield:

2,4-dimethyl-6-phenylpyrylium → 6-Phenyl-3,5-hexadienon (29179-18-8) + 3-Methyl-1-phenyl-hexandion-(1,5) (25552-15-2) + (2Z,4E)-3-Methyl-1-phenyl-hexa-2,4-dien-1-one (93626-99-4) + (2S,6S)-2,4-Dimethyl-6-phenyl-3,6-dihydro-2H-pyran (68039-40-7,112084-85-2)

Guidance literature:

With sodium tetrahydroborate; acetic acid; Yield given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1016/S0040-4039(00)95365-6

Reference yield:

2,4-dimethyl-6-phenylpyrylium → 3-Methyl-1-phenyl-hexandion-(1,5) (25552-15-2) + (2Z,4E)-3-Methyl-1-phenyl-hexa-2,4-dien-1-one (93626-99-4) + (2S,6S)-2,4-Dimethyl-6-phenyl-3,6-dihydro-2H-pyran (68039-40-7,112084-85-2) + (2S,4R,6S)-2,4-Dimethyl-6-phenyl-tetrahydro-pyran (101267-03-2,112138-19-9)

Guidance literature:

With sodium tetrahydroborate; acetic acid; Further byproducts given; Ambient temperature;

DOI:10.1016/S0040-4039(00)95365-6

upstream raw materials:

4-methyl-4-penten-2-ol

benzaldehyde

Downstream raw materials:

2,4-Dimethyl-6-phenyl-tetrahydro-pyran