3-Methyltetrahydro-2h-pyran-2-one

Base Information

• Chemical Name: 3-Methyltetrahydro-2h-pyran-2-one
• CAS No.: 10603-03-9
• Molecular Formula: C₆H₁₀O₂
• Molecular Weight: 114.144
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50909872
• Nikkaji Number: J51.183H
• Mol file: 10603-03-9.mol

Synonyms:3-methyloxan-2-one;10603-03-9;3-methyltetrahydro-2h-pyran-2-one;beta-Methyl-delta-valerolactone;TETRAHYDRO-3-METHYLPYRAN-2-ONE;2H-Pyran-2-one, tetrahydro-3-methyl-;Valeric acid, 5-hydroxy-3-methyl-, delta-lactone;Tetrahydro-3-methyl-2H-pyran-2-one;2-methyl-5-pentanolide;2-methyl-delta-valerolactone;SCHEMBL577023;alpha-methyl-delta-valerolactone;DTXSID50909872;AB4082;MFCD00506236;AKOS006271391;2-Methyl-5-hydroxypentanoic acid lactone;AS-44745;LS-127479;CS-0440412;FT-0736010;EN300-154813

Chemical Property of 3-Methyltetrahydro-2h-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.145mmHg at 25°C
• Refractive Index: 1.4030 (estimate)
• Boiling Point: 215.7°Cat760mmHg
• Flash Point: 79.8°C
• PSA: 26.30000
• Density: 1.001g/cm³
• LogP: 0.95950
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 98.7

Purity/Quality:

97% ^*data from raw suppliers

Tetrahydro-3-methylpyran-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCOC1=O

Technology Process of 3-Methyltetrahydro-2h-pyran-2-one

There total 26 articles about 3-Methyltetrahydro-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: 81.0%

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) + methyl iodide (74-88-4) → α-methyl-δ-valerolactone (73746-79-9,80698-15-3,107242-87-5,10603-03-9,823-22-3)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

DOI:10.1016/j.bmcl.2008.01.002

Reference yield: 75.0%

n-Pent-4-enyl alcohol (821-09-0) + carbon monoxide (201230-82-2) → α-methyl-δ-valerolactone (73746-79-9,80698-15-3,107242-87-5,10603-03-9,823-22-3)

Guidance literature:

With hydrogenchloride; oxygen; copper dichloride; palladium dichloride; In tetrahydrofuran; Ambient temperature;

DOI:10.1039/c39850000511

Reference yield: 73.0%

2-Methylcyclopentanone (1120-72-5) → α-methyl-δ-valerolactone (73746-79-9,80698-15-3,107242-87-5,10603-03-9,823-22-3) + 5-hexanolide (823-22-3,26991-67-3)

Guidance literature:

With bis-trimethylsilanyl peroxide; tin(IV) chloride; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1246/bcsj.56.2029

upstream raw materials:

3,4,5,6-tetrahydro-2H-pyran-2-one

methyl iodide

2-Methylcyclopentanone

n-Pent-4-enyl alcohol

Downstream raw materials:

3-Methyl-2-phenyl-tetrahydro-pyran-2-ol

2-methyl-1,5-pentanediol

5-hydroxy-2,N-dimethyl-N-phenylpentanamide

2-methyl-2-phenylsulfanylpentano-5-lactone

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