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109299-92-5

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Basic Information
CAS No.: 109299-92-5
Name: 3-[(E)-2-BUTENOYL]-1,3-OXAZOLIDIN-2-ONE
Article Data: 18
Molecular Structure:
Molecular Structure of 109299-92-5 (3-[(E)-2-BUTENOYL]-1,3-OXAZOLIDIN-2-ONE)
Formula: C7H9NO3
Molecular Weight: 155.153
Synonyms: Oxazolidin-2-one, N-[(E)-butenoyl];
Density: 1.239 g/cm3
Melting Point: 37-41 °C
Boiling Point: 216.2 °C at 760 mmHg
Flash Point: 84.5 °C
Safety: 24/25
PSA: 46.61000
LogP: 0.47920
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Specification

The 2-Oxazolidinone,3-[(2E)-1-oxo-2-buten-1-yl]-, with the CAS registry number of109299-92-5, is also known as Oxazolidin-2-one, N-[(E)-butenoyl]. Its molecular formula is C7H9NO3 and molecular weight is 155.15. What's more, its IUPAC name is 3-[(E)-But-2-enoyl]-1,3-oxazolidin-2-one.

Physical properties about the 2-Oxazolidinone,3-[(2E)-1-oxo-2-buten-1-yl]- are: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 37.66 cm3; (9)Molar Volume: 125.1 cm3; (10)Surface Tension: 45.6 dyne/cm; (11)Density: 1.239 g/cm3; (12)Flash Point: 84.5 °C; (13)Enthalpy of Vaporization: 45.25 kJ/mol; (14)Boiling Point: 216.2 °C at 760 mmHg; (15)Vapour Pressure: 0.142 mmHg at 25 °C.

Preparation: this chemical can be obtained by But-2-enoyl chloride and Oxazolidin-2-one. The reaction needs reagent NaH and solvent Tetrahydrofuran. The reaction time is 1 h. The yield is about 46 %.

The 2-Oxazolidinone,3-[(2E)-1-oxo-2-buten-1-yl]- can be obtained by But-2-enoyl chloride and Oxazolidin-2-one

Uses: it is used to produce other chemicals. For example, it is used to produce 3-(3-Methyl-pentanoyl)-oxazolidin-2-one. This reaction needs solvent CH2Cl2. The reaction time is 4 h. The yield is about 75 %.

The 2-Oxazolidinone,3-[(2E)-1-oxo-2-buten-1-yl]- can react with Chloro-diethyl-aluminium to get 3-(3-Methyl-pentanoyl)-oxazolidin-2-one

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: chloro-diethyl-aluminium
(2) InChI: InChI=1/C7H9NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,4-5H2,1H3/b3-2+
(3) InChIKey: PNPVETUIPHVXGI-NSCUHMNNBB