ChemicalBook--->CAS DataBase List--->10341-26-1

10341-26-1

10341-26-1 Structure

10341-26-1 Structure
IdentificationBack Directory
[Name]

1,4-Oxazepan-5-one
[CAS]

10341-26-1
[Synonyms]

10341-26-1
1,4-Oxaxepan-5-one
Homomorpholin-5-one
HoMoMorpholine-5-one
tetrahydro-1,4-Oxazepin-5(2H)-one
tetrahydro-(2H)-1,4-oxazepin-5-one
1,4-Oxazepin-5(2H)-one, tetrahydro-
[Molecular Formula]

C5H9NO2
[MDL Number]

MFCD02683091
[MOL File]

10341-26-1.mol
[Molecular Weight]

115.13
Chemical PropertiesBack Directory
[Melting point ]

80-82°C
[Boiling point ]

165 °C(Press: 15 Torr)
[density ]

1.068±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

15.85±0.20(Predicted)
[Appearance]

Off-white to yellow Solid
[Sensitive ]

Hygroscopic
[InChI]

InChI=1S/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
[InChIKey]

OXDIYMHNQAWSCL-UHFFFAOYSA-N
[SMILES]

O1CCC(=O)NCC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[PackingGroup ]

III
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

Used as a pharmaceutical intermediate.
[Synthesis]

TETRAHYDRO-PYRAN-4-ONE OXIME

61128-73-2

1,4-Oxazepan-5-one

10341-26-1

General procedure for the synthesis of 1,4-oxoazepan-5-one from dihydro-2H-pyran-4(3H)-one oxime: to a solution of tetrahydrofuran (THF, 10 mL) containing the ketoxime (0.01 mol) was added T3P (15 mol%, 50% solution in ethyl acetate). The reaction mixture was heated to reflux and stirred for 1-4 h under nitrogen protection. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the solvent was removed under reduced pressure. The residue was diluted with distilled water (20 mL) and subsequently extracted with ethyl acetate (2 x 20 mL). The organic phases were combined and washed sequentially with saturated sodium bicarbonate (NaHCO3) solution (1 × 10 mL) and brine. The organic phase was dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give a high purity target amide product.

[References]

[1] Tetrahedron Letters, 2011, vol. 52, # 10, p. 1074 - 1077
[2] Patent: WO2012/101654, 2012, A2. Location in patent: Page/Page column 67-68
[3] Zhurnal Obshchei Khimii, 1955, vol. 25, p. 133,135; engl. Ausg. S. 119, 121
[4] Zhurnal Obshchei Khimii, 1955, vol. 25, p. 133,135; engl. Ausg. S. 119, 121
[5] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 19, p. 2651 - 2653
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Oxazepan-5-one(10341-26-1)1HNMR
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