2-methyl-tetrahydropyran-4-one

Base Information

• Chemical Name: 2-methyl-tetrahydropyran-4-one
• CAS No.: 1193-20-0
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• Hs Code.: 2932999099
• European Community (EC) Number: 813-491-9
• DSSTox Substance ID: DTXSID30438791
• Nikkaji Number: J465.459E
• Mol file: 1193-20-0.mol

Synonyms:2-METHYL-TETRAHYDRO-PYRAN-4-ONE;2-Methyltetrahydro-4-pyranone;

Chemical Property of 2-methyl-tetrahydropyran-4-one

Chemical Property:

• Vapor Pressure: 1.18mmHg at 25°C
• Boiling Point: 174.9oC at 760 mmHg
• Flash Point: 63.5oC
• PSA: 26.30000
• Density: 1.001g/cm3
• LogP: 0.75440
• XLogP3: 0
• 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%, ^*data from raw suppliers

2-Methyl-tetrahydro-pyran-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)CCO1

Technology Process of 2-methyl-tetrahydropyran-4-one

There total 14 articles about 2-methyl-tetrahydropyran-4-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: 85.0%

cis-2-methyltetrahydro-2H-pyran-4-ol (33747-08-9,55230-32-5,82065-16-5,82065-20-1,82110-13-2,82110-17-6,89791-47-9) → 2-methyltetrahydro-4H-pyran-4-one (1193-20-0)

Guidance literature:

With Jones reagent; In isopropyl alcohol; acetone; at 0 - 20 ℃; for 1.16667h;

Reference yield: 74.2%

(2S,4S)-4-hydroxy-2-methyltetrahydropyran (89791-47-9) → 2-methyltetrahydro-4H-pyran-4-one (1193-20-0)

Guidance literature:

With pyridinium chlorochromate;

Reference yield: 65.0%

(E)-1-hydroxyhex-4-en-3-one → 2-methyltetrahydro-4H-pyran-4-one (1193-20-0)

Guidance literature:

With amberlyst-15; In chloroform; for 2h; Ambient temperature;

DOI:10.1021/jo00091a048

upstream raw materials:

(2S,4S)-4-hydroxy-2-methyltetrahydropyran

hexa-1,5-dien-3-yne

cis-2-methyltetrahydro-2H-pyran-4-ol

3-Ethoxyhexa-3,5-dien-1-ol

Downstream raw materials:

(2R,4R)-2-methyltetrahydro-2H-pyran-4-ol

trans-2-Methyl-tetrahydropyran-4-ol

(2S,4S)-4-hydroxy-2-methyl-3,4,5,6-tetrahydro-2H-pyran

(S)-2-methyl-3,4,5,6-tetrahydro-2H-pyran-4-one