343455
2-甲氧基四氢吡喃
98%
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关于此项目
经验公式（希尔记法）:
C6H12O2
化学文摘社编号:
分子量:
116.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
229-509-8
MDL number:
Assay:
98%
Form:
liquid
InChI key
XTDKZSUYCXHXJM-UHFFFAOYSA-N
InChI
1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
SMILES string
COC1CCCCO1
assay
98%
form
liquid
refractive index
n20/D 1.425 (lit.)
bp
128-129 °C (lit.)
density
0.963 g/mL at 25 °C (lit.)
functional group
ether
Quality Level
General description
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.
Proton chemical shifts in NMR. Part 12. 1 Steric, electric field and conformational effects in acyclic and cyclic ethers.
Abraham RJ and Warne MA.
J. Chem. Soc. Perkin Trans. II, 8, 1751-1758 (1998)
The conformational properties of the glycosidic linkage.
Tvaroska I and Kozar T.
Carbohydrate Research, 90(2), 173-185 (1981)
Combined experimental and theoretical studies of the elimination kinetic of 2-methoxytetrahydropyran in the gas phase.
Rosas F, et al.
Journal of Physical Organic Chemistry, 23(12), 1127-1136 (2010)
Rodrigo S Bitzer et al.
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
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