3,4-Dihydro-4,4-dimethyl-2H-pyran-2-one

Base Information

• Chemical Name: 3,4-Dihydro-4,4-dimethyl-2H-pyran-2-one
• CAS No.: 76897-39-7
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• European Community (EC) Number: 278-566-5
• DSSTox Substance ID: DTXSID50998180
• Nikkaji Number: J309.331J
• Wikidata: Q82990697
• Mol file: 76897-39-7.mol

Synonyms:3,4-Dihydro-4,4-dimethyl-2H-pyran-2-one;76897-39-7;EINECS 278-566-5;4,4-Dimethyl-3,4-dihydro-2H-pyran-2-one;SCHEMBL3390820;DTXSID50998180;BBJQMPGDRXUFQM-UHFFFAOYSA-N;4,4-dimethyl-3,4-dihydro-2-pyrone;4,4-Dimethyl-3,4-dihydro-pyran-2-one;2H-Pyran-2-one, 3,4-dihydro-4,4-dimethyl-

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

Chemical Property:

• Vapor Pressure: 0.408mmHg at 25°C
• Boiling Point: 196°Cat760mmHg
• Flash Point: 69.3°C
• Density: 1.003g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)OC=C1)C

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

There total 5 articles about 3,4-Dihydro-4,4-dimethyl-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: 68.0%

(E)-5-Acetoxy-3,3-dimethyl-pent-4-enoic acid ethyl ester (104773-66-2) → 3,4-dihydro-4,4-dimethyl-2H-pyran-2-one (76897-39-7)

Guidance literature:

With silica gel; at 260 ℃;

DOI:10.1016/S0040-4039(00)84744-9

Reference yield: 63.0%

methyl 5-acetoxy-3,3-dimethyl-4-pentenoate (104773-64-0) → 3,4-dihydro-4,4-dimethyl-2H-pyran-2-one (76897-39-7)

Guidance literature:

With silica gel; at 260 ℃;

DOI:10.1016/S0040-4039(00)84744-9

Reference yield: 40.0%

ethyl 4-formyl-3,3-dimethylbutanoate (76897-38-6) → 3,4-dihydro-4,4-dimethyl-2H-pyran-2-one (76897-39-7)

Guidance literature:

With sodium hydrogencarbonate; trichlorophosphate; In toluene;

upstream raw materials:

(E)-5-Acetoxy-3,3-dimethyl-pent-4-enoic acid ethyl ester

methyl 5-acetoxy-3,3-dimethyl-4-pentenoate

3,3-dimethyl-5-oxopentanoic acid

ethyl 4-formyl-3,3-dimethylbutanoate

Downstream raw materials:

2-methyl-5-phenyl-[1,3,4]oxadiazole

phenyl isocyanate

C₁₃H₁₄O₄

3,3-Dimethyl-4-oxo-butyric acid (4-hydroxy-phenoxy)-(4-hydroxy-phenyl)-methyl ester