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127956-11-0

127956-11-0 Structure

127956-11-0 Structure
IdentificationBack Directory
[Name]

Methyl tetrahydro-4H-pyran-4-one-3-carboxylate
[CAS]

127956-11-0
[Synonyms]

methyl 4-oxooxane-3-carboxylate
Methyl 4-Oxotetrahydropyran-3-carboxylate
Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate
Methyl 4-oxotetrahydro-1H-pyran-3-carboxylate
Methyl tetrahydro-4H-pyran-4-one-3-carboxylate
Methyl tetrahydro-4H-pyran-4-one-3-carboxylate-4
Methyl-4-oxotetrahydro-2h-pyran-3-carboxylic acid
4-Oxotetrahydropyran-3-carboxylic acid methyl ester
2H-Pyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester
[Molecular Formula]

C7H10O4
[MDL Number]

MFCD20921984
[MOL File]

127956-11-0.mol
[Molecular Weight]

158.15
Chemical PropertiesBack Directory
[Boiling point ]

236.4±30.0 °C(Predicted)
[density ]

1.201±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

10.61±0.20(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C7H10O4/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
[InChIKey]

SOWMVLQIMWETEK-UHFFFAOYSA-N
[SMILES]

C1OCCC(=O)C1C(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335-H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate is a carboxylate derivative, and used as a pharmaceutical intermediate.
[Synthesis]

Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate was synthesized by reacting tetrahydropyranone with dimethyl carbonate in the presence of TEA.
[References]

[1] Patent: WO2014/15291, 2014, A1. Location in patent: Page/Page column 183
[2] Patent: WO2016/210331, 2016, A1. Location in patent: Paragraph 0254; 0255
[3] Patent: WO2016/210330, 2016, A1. Location in patent: Paragraph 0520-0521
[4] Patent: WO2013/10092, 2013, A1. Location in patent: Page/Page column 26
[5] Patent: WO2013/12723, 2013, A1. Location in patent: Page/Page column 40
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate(127956-11-0)1HNMR
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