(2S)-2-Methyloxan-4-one

Base Information

• Chemical Name: (2S)-2-Methyloxan-4-one
• CAS No.: 82110-21-2
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• DSSTox Substance ID: DTXSID00435853
• Nikkaji Number: J674.124J
• Wikidata: Q82250969
• Mol file: 82110-21-2.mol

Synonyms:82110-21-2;(2S)-2-METHYLOXAN-4-ONE;(S)-2-Methyltetrahydropyran-4-one;(S)-2-Methyldihydro-2H-pyran-4(3H)-one;(2S)-2-methyltetrahydro-4H-pyran-4-one;(S)-2-METHYL-TETRAHYDRO-PYRAN-4-ONE;4H-Pyran-4-one, tetrahydro-2-methyl-, (2S)-;SCHEMBL3595833;DTXSID00435853;TQR0676;MQOPUXINXNVMKJ-YFKPBYRVSA-N;(2S)-2-methyltetrahydropyran-4-one;MFCD15071429;(S)-2beta-Methyltetrahydro-4H-pyran-4-one;CS-0053436;P11762

Chemical Property of (2S)-2-Methyloxan-4-one

Chemical Property:

• PSA: 26.30000
• 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:

97% ^*data from raw suppliers

(S)-2-Methyltetrahydropyran-4-one 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)CCO1
• Isomeric SMILES: C[C@H]1CC(=O)CCO1

Technology Process of (2S)-2-Methyloxan-4-one

There total 14 articles about (2S)-2-Methyloxan-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: 81.0%

→ (S)-2-methyl-3,4,5,6-tetrahydro-2H-pyran-4-one (82110-21-2)

Guidance literature:

Reference yield: 78.0%

(S)-7-methyl-1,4,8-trioxaspiro[4.5]decane (1202377-93-2) → (S)-2-methyl-3,4,5,6-tetrahydro-2H-pyran-4-one (82110-21-2)

Guidance literature:

With formaldehyd; pyridinium p-toluenesulfonate; In water; at 80 ℃; for 5h; optical yield given as %ee;

DOI:10.1021/op900163a

Reference yield: 67.0%

(2S)-2-methyl-2,3-dihydropyran-4-one (190912-15-3) → (S)-2-methyl-3,4,5,6-tetrahydro-2H-pyran-4-one (82110-21-2)

Guidance literature:

With palladium/alumina; hydrogen; In toluene; at 45 - 55 ℃; for 18.5h; under 22502.3 Torr; optical yield given as %ee;

DOI:10.1021/op900163a

upstream raw materials:

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

2-methyltetrahydro-4H-pyran-4-one

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

(5E)-hepta-1,5-dien-4-ol

Downstream raw materials:

(2S,4R)-4-(3-bromophenyl)-4-methoxy-2-methyltetrahydropyran

(2S,4S)-4-hydroxy-2-methyl-4-[2-(1-methyl-2-oxoindolin-5-ylthio)thien-4-yl]-tetrahydropyran

5-[[4-[(2S,4R)-4-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-thienyl]sulfanyl]-1-methyl-indolin-2-one

C₁₉H₂₂O₃