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137052-08-5

137052-08-5 Structure

137052-08-5 Structure
IdentificationBack Directory
[Name]

1-(Tetrahydro-2H-pyran-4-yl)ethanone
[CAS]

137052-08-5
[Synonyms]

ACP
FASN2A
NDUFAB1
MGC65095
EOS-61643
1-(oxan-4-yL
1-(oxan-4-yl)ethanone
4-Acetyltetrahydropyran
1-(oxan-4-yl)ethan-1-one
4-Acetyltetrahydropyran,97%
4-ACETYLTETRAHYDRO-4H-PYRAN
4-Acetyltetrahydro-2H-pyran
1-Tetrahydropyran-4-yl-ethanone
4-Acetyltetrahydro-2H-pyran 97%
1-(tetrahydro-2H-pyran-4-yl)ethanone
Ethanone, 1-(tetrahydro-2H-pyran-4-yl)
1-(tetrahydro-2H-pyran-4-yl)ethan-1-one
1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHANE -1-ONE
Ethanone, 1-(tetrahydro-2H-pyran-4-yl)- (9CI)
1-ACETOXY-3-CARBAMOYL,2,2,5,5-TETRAMETHYLPYRROLIDINE
1-(Tetrahydro-2H-pyran-4-yl)ethan-1-one, 4-Acetyloxane
[EINECS(EC#)]

809-972-8
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD08702710
[MOL File]

137052-08-5.mol
[Molecular Weight]

128.17
Chemical PropertiesBack Directory
[Boiling point ]

90-94℃/15mm
[density ]

1.024
[refractive index ]

1.4530
[storage temp. ]

-20°C
[form ]

Liquid
[color ]

Colorless to pale yellow
[InChI]

InChI=1S/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3
[InChIKey]

VNMXIOWPBADSIC-UHFFFAOYSA-N
[SMILES]

C(=O)(C1CCOCC1)C
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

42-36
[Safety Statements ]

22-45-26
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

Cell permeable probe for the detection of intracellular oxidative stress. ACP can easily be deprotected with esterases to cyclic hydroxylamines, which are oxidized by ROS leading to ESR-detectable nitroxide radicals.
[Synthesis]

Ethyl 4-acetyl tetrahydro-2H-pyran-4-carboxylate

345216-96-8

1-(Tetrahydro-2H-pyran-4-yl)ethanone

137052-08-5

Example 1 (Synthesis of 4-acetyltetrahydropyran) In a 10 mL glass flask equipped with a stirring device, a thermometer and a reflux condenser, 0.38 g (2.0 mmol) of methyl 4-acetyltetrahydro-2H-pyran-4-carboxylate (synthesized according to the method of Reference Example 1) of 99% purity and 1.08 mL (10 mmol) of 9 mol/L sulfuric acid were added. The reaction mixture was heated to 120°C under stirring and the reaction lasted for 1.5 hours. Upon completion of the reaction, the reaction mixture was analyzed by gas chromatography (internal standard method) and the formation of 0.25 g (yield: 96%) of 4-acetyltetrahydropyran was confirmed.

[References]

[1] Patent: EP1700852, 2006, A1. Location in patent: Page/Page column 7-8
[2] Patent: EP1700852, 2006, A1. Location in patent: Page/Page column 8
[3] Patent: EP1700852, 2006, A1. Location in patent: Page/Page column 8
[4] Patent: EP1700852, 2006, A1. Location in patent: Page/Page column 8
[5] Patent: WO2011/50016, 2011, A1. Location in patent: Page/Page column 35-36
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Tetrahydro-2H-pyran-4-yl)ethanone(137052-08-5)1HNMR
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