4-Methyltetrahydro-2H-pyran-2-one

Base Information

• Chemical Name: 4-Methyltetrahydro-2H-pyran-2-one
• CAS No.: 1121-84-2
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• Hs Code.: 2932999099
• European Community (EC) Number: 214-338-3
• NSC Number: 32358
• DSSTox Substance ID: DTXSID10862555
• Nikkaji Number: J94.821G
• ChEMBL ID: CHEMBL457027
• Mol file: 1121-84-2.mol

Synonyms:4-Methyltetrahydro-2H-pyran-2-one;1121-84-2;4-methyloxan-2-one;Tetrahydro-4-methyl-2H-pyran-2-one;2H-Pyran-2-one, tetrahydro-4-methyl-;EINECS 214-338-3;NSC32358;3-Methyl-5-pentanolide;3-methyl-5-valerolactone;SCHEMBL27575;CHEMBL457027;4-methyl-tetrahydro-pyran-2-one;DTXSID10862555;PENTANOLACTONE, 3-METHYL-;2-AMINO-2-METHYLBUTYRICACID;4-METHYLTETRAHYDRO-2-PYRONE;NSC 32358;NSC-32358;4-Methyltetrahydro-2H-pyran-2-one #;AKOS016012056;4-methyl-3,4,5,6-tetrahydro-2-pyranone;CS-0007022;FT-0616154;EN300-111983;F87764;A802506

Chemical Property of 4-Methyltetrahydro-2H-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.145mmHg at 25°C
• Boiling Point: 215.7°C at 760 mmHg
• Flash Point: 79.8°C
• PSA: 26.30000
• Density: 1.001g/cm³
• LogP: 0.95950
• XLogP3: 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:

98%,99%, ^*data from raw suppliers

4-Methyltetrahydro-2H-pyran-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCOC(=O)C1

Technology Process of 4-Methyltetrahydro-2H-pyran-2-one

There total 30 articles about 4-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: 100.0%

4-methyl-5,6-dihydro-2H-pyran-2-one (2381-87-5) → 4-methyl-tetrahydro-pyran-2-one (1121-84-2,97145-14-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; under 1500.15 Torr;

DOI:10.1002/chem.201104073

Reference yield: 96.0%

3-methylpentane-1,5-diol (4457-71-0) → 4-methyl-tetrahydro-pyran-2-one (1121-84-2,97145-14-7)

Guidance literature:

With oxygen; In toluene; at 110 ℃; for 1h;

DOI:10.1039/b900576e

Reference yield: 76.0%

3-methylglutaric anhydride (4166-53-4) → 4-methyl-tetrahydro-pyran-2-one (1121-84-2,97145-14-7)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; for 1h;

DOI:10.1139/v96-279

upstream raw materials:

3,4-dihydro-2-methoxy-4-methyl-2H-pyran

3-methylpentane-1,5-diol

3-methylglutaric anhydride

2-Methylcyclopentanone

Downstream raw materials:

4-methyl-2-(thiophenyl)tetrahydropyran

(4R)-4-methyltetrahydro-2H-pyran-2-one

((2R,4R)-4-Methyl-tetrahydro-pyran-2-yl)-phenyl-methanol

cis-2-benzyl-3-methyl-2-vinyl-5-pentanolide

Refernces

• 1、 Touchy, Abeda Sultana,Shimizu, Ken-Ichi. "Acceptorless dehydrogenative lactonization of diols by Pt-loaded SnO2 catalysts". . p. 29072 - 29075. Retrieved 2015.
• 2、 Rauch,Schmidt,Arends,Oppelt,Kara,Hollmann. "Photobiocatalytic alcohol oxidation using LED light sources". . p. 376 - 379. Retrieved 2017.
• 3、 Frimer,A.A. et al.. "-". . p. 7977 - 7986. Retrieved 1977.
• 4、 -. "PROCESS FOR THE PREPARATION OF (Z,2E)-5-[1-(4-CHLOROPHENYL)PYRAZOL-3-YL]OXY-2-METHOXYIMINO-N,3-DIMETHYL-PENT-3-ENAMIDE DERIVATIVES". Page/Page column 14. . Retrieved 2021/04/30.
• 5、 Armstrong, Roly J.,Akhtar, Wasim M.,Frost, James R.,Christensen, Kirsten E.,Stevenson, Neil G.,Donohoe, Timothy J.. "Stereoselective synthesis of alicyclic ketones: A hydrogen borrowing approach". supporting information. . Retrieved 2019/11/13.