4,6-Dimethyl-3,4-dihydro-2h-pyran-2-one

Base Information

• Chemical Name: 4,6-Dimethyl-3,4-dihydro-2h-pyran-2-one
• CAS No.: 92912-06-6
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• NSC Number: 134779
• DSSTox Substance ID: DTXSID40300096
• Mol file: 92912-06-6.mol

Synonyms:92912-06-6;4,6-dimethyl-3,4-dihydro-2h-pyran-2-one;4,6-dimethyl-3,4-dihydropyran-2-one;NSC134779;SCHEMBL1781079;DTXSID40300096;UPCDWBFNKSZLIC-UHFFFAOYSA-N;NSC-134779

Chemical Property of 4,6-Dimethyl-3,4-dihydro-2h-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.207mmHg at 25°C
• Boiling Point: 209.1°C at 760 mmHg
• Flash Point: 76.3°C
• Density: 1.007g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)OC(=C1)C

Technology Process of 4,6-Dimethyl-3,4-dihydro-2h-pyran-2-one

There total 1 articles about 4,6-Dimethyl-3,4-dihydro-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:

carbon dioxide (124-38-9,18923-20-1) + prop-1-yne (74-99-7) → 4,6-dimethyl-2-pyrone (92912-06-6) + 2-methyl-1-penten-3-yne (926-55-6) + hexa-4-en-2-yne (33625-96-6) + (Z)-2,4-dimethyl-hepta-1,3-dien-5-yne (67399-71-7) + (2E,4Z)-5-Methyl-octa-2,4-dien-6-yne + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

With cis-; In acetonitrile; at 120 ℃; for 12h; under 45600 Torr; also without CO₂; also dienes;

DOI:10.1016/S0022-328X(00)83981-9

Reference yield:

4,6-dimethyl-2-pyrone (92912-06-6) + acetic acid methyl ester (79-20-9) → methyl 5-methyl-3,7-dioxooctanoate (1206191-08-3) + methyl 2-hydroxy-2,4-dimethyl-6-oxocyclohexanecarboxylate (1204592-90-4)

Guidance literature:

acetic acid methyl ester; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃;

4,6-dimethyl-2-pyrone; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

Reference yield:

4,6-dimethyl-2-pyrone (92912-06-6) → rac-methyl 2,4-dimethyl-6-oxocyclohex-1-enecarboxylate (1204592-93-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diisopropylamine; n-butyllithium / tetrahydrofuran

2: methanesulfonic acid / benzene

With n-butyllithium; methanesulfonic acid; diisopropylamine; In tetrahydrofuran; benzene;

DOI:10.1016/j.bmcl.2015.11.051

upstream raw materials:

carbon dioxide

prop-1-yne

Downstream raw materials:

methyl 5-methyl-3,7-dioxooctanoate

methyl 2-hydroxy-2,4-dimethyl-6-oxocyclohexanecarboxylate

rac-methyl 2,4-dimethyl-6-oxocyclohex-1-enecarboxylate