About This Item
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Nível de qualidade
Ensaio
98%
Formulário
liquid
índice de refração
n20/D 1.425 (lit.)
p.e.
128-129 °C (lit.)
densidade
0.963 g/mL at 25 °C (lit.)
grupo funcional
ether
cadeia de caracteres SMILES
COC1CCCCO1
InChI
1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
chave InChI
XTDKZSUYCXHXJM-UHFFFAOYSA-N
Descrição geral
2-Methoxytetrahydropyran is methoxy-substituted tetrahydropyran. α- and β-glycosidic C1-O1 bonds of the axial and equatorial forms of 2-methoxytetrahydropyran has been investigated by ab initio conformational study. Stereochemical properties of the glycosidic linkage of 2-methoxytetrahydropyran have been studied by the quantum-chemical PCILO method. It undergoes elimination reaction in the gas phase to yield 3, 4-dihydro-2H-pyran and methanol. Proton resonance spectra of 2-methoxytetrahydropyran has been analyzed.
Palavra indicadora
Warning
Frases de perigo
Classificações de perigo
Flam. Liq. 3
Código de classe de armazenamento
3 - Flammable liquids
Classe de risco de água (WGK)
WGK 2
Ponto de fulgor (°F)
77.0 °F - closed cup
Ponto de fulgor (°C)
25 °C - closed cup
Equipamento de proteção individual
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Carbohydrate research, 340(13), 2171-2184 (2005-08-02)
An ab initio conformational study of the alpha- and beta-glycosidic C1-O1 bonds has been carried out on the axial and equatorial forms of 2-methoxytetrahydropyran (2-MTHP) at the HF/6-31G(d,p) and GVB-PP/6-31G(d,p) levels of calculation. Six conformers of 2-MTHP were fully optimized
Proton chemical shifts in NMR. Part 12. 1 Steric, electric field and conformational effects in acyclic and cyclic ethers.
J. Chem. Soc. Perkin Trans. II, 8, 1751-1758 (1998)
The conformational properties of the glycosidic linkage.
Carbohydrate Research, 90(2), 173-185 (1981)
Combined experimental and theoretical studies of the elimination kinetic of 2-methoxytetrahydropyran in the gas phase.
Journal of Physical Organic Chemistry, 23(12), 1127-1136 (2010)
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