Tetrahydro-3,6-dimethyl-2H-pyran-2-one

Base Information

• Chemical Name: Tetrahydro-3,6-dimethyl-2H-pyran-2-one
• CAS No.: 3720-22-7
• Molecular Formula: C7H12O2
• Molecular Weight: 128.169
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50958385
• Nikkaji Number: J146.117F
• Mol file: 3720-22-7.mol

Synonyms:3,6-dimethyloxan-2-one;3720-22-7;TETRAHYDRO-3,6-DIMETHYL-2H-PYRAN-2-ONE;2H-Pyran-2-one, tetrahydro-3,6-dimethyl-;3,6-Dimethyl-tetrahydropyran-2-one;2-methyl-hexane-5-olide;SCHEMBL576472;DTXSID50958385;QVPKQLPQAUWJAE-UHFFFAOYSA-N;3,6-Dimethyltetrahydro-2H-pyran-2-one #

Chemical Property of Tetrahydro-3,6-dimethyl-2H-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.12mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 219.4 °C at 760 mmHg
• Flash Point: 81.7 °C
• PSA: 26.30000
• Density: 0.956 g/cm³
• LogP: 1.34800
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(OC1=O)C

Technology Process of Tetrahydro-3,6-dimethyl-2H-pyran-2-one

There total 60 articles about Tetrahydro-3,6-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: 93.0%

5-hexanolide (823-22-3,26991-67-3) + methyl iodide (74-88-4) → 3,6-dimethyltetrahydro-2H-pyran-2-one (3720-22-7)

Guidance literature:

5-hexanolide; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 30h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/np400131q

Reference yield: 92.0%

(+/-)-(2S*,6R*)-2,6-dimethyldihydropyr-4-en-2-one (97204-42-7,97204-43-8,113301-19-2,119067-62-8) → cis-2-methyl-5-hexanolide (3720-22-7,24405-11-6,24405-12-7,65451-92-5,65451-93-6,65451-94-7,65451-95-8,74282-24-9,74282-25-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether; for 2.16667h; under 760 Torr;

DOI:10.1016/S0040-4020(01)86648-5

Reference yield: 83.0%

methyl 2(R,S)-methyl-5(R)-(tetrahydropyranyloxy)-hexanoate (103367-37-9,103421-24-5) → (5R)-2-methyl-5-hexanolide (3720-22-7,24405-11-6,24405-12-7,65451-92-5,65451-93-6,65451-94-7,65451-95-8,74282-24-9,74282-25-0)

Guidance literature:

With 4 A molecular sieve; H+ ion-exchange resin (Amberlyst 15); In acetonitrile; at 25 ℃; for 4h;

DOI:10.1021/jo00369a039

upstream raw materials:

5-hydroxy-2-methyl-hexanenitrile

2-methyl-5-ketocapronitrile

2-Acetyl-4-methyl-glutarsaeure-1-aethylester-5-nitril

5-hexanolide