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29513-26-6

Basic Information
CAS No.: 29513-26-6
Name: 4,4-DIMETHYL-2-VINYL-2-OXAZOLIN-5-ONE
Article Data: 5
Molecular Structure:
Molecular Structure of 29513-26-6 (4,4-DIMETHYL-2-VINYL-2-OXAZOLIN-5-ONE)
Formula: C7H9NO2
Molecular Weight: 139.154
Synonyms: 2-Oxazolin-5-one,4,4-dimethyl-2-vinyl- (8CI);2-Ethenyl-4,4-dimethyl-1,3-oxazolin-5-one;2-Vinyl-4,4-dimethyl-2-oxazolin-5-one;2-Vinyl-4,4-dimethyl-5-oxazolone;2-Vinyl-4,4-dimethylazlactone;4,4-Dimethyl-2-vinyl-2-oxazolin-5-one;4,4-Dimethyl-2-vinyl-5(4H)-oxazolone;4,4-Dimethyl-2-vinylazlactone;
Density: 1.089 g/cm3
Melting Point: 6℃
Boiling Point: 156.833 °C at 760 mmHg
Flash Point: 49.107 °C
Risk Codes: 10
Safety: 16
PSA: 38.66000
LogP: 0.34190
Synthetic route
29513-50-6

2-methyl-2-(prop-2-enamido)propanoic acid

29513-26-6

vinyl azlactone

Conditions
ConditionsYield
With chloroformic acid ethyl ester80%
With chloroformic acid ethyl ester; triethylamine In acetone at 0℃; for 3h;49%
With chloroformic acid ethyl ester; triethylamine In acetone at 0℃; for 3h;49%
2210-25-5

N-Isopropylacrylamide

29513-26-6

vinyl azlactone

poly[(N-isopropyl acrylamide)-co-(vinyl azalactone)], Mw 5.1E5 Da by viscosimetry; monomer(s): N-isopropyl acrylamide, ca. 80 percent; 2-vinyl-4,4-dimethyl-2-oxazoline-5-one, ca. 20 percent

poly[(N-isopropyl acrylamide)-co-(vinyl azalactone)], Mw 5.1E5 Da by viscosimetry; monomer(s): N-isopropyl acrylamide, ca. 80 percent; 2-vinyl-4,4-dimethyl-2-oxazoline-5-one, ca. 20 percent

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In tert-butyl alcohol at 70℃; for 20h;96%
2210-25-5

N-Isopropylacrylamide

29513-26-6

vinyl azlactone

poly[(N-isopropyl acrylamide)-co-(vinyl azlactone)], Mw 5.1E5 Da by viscosimetry in THF at 30 deg C; monomer(s): N-isopropyl acrylamide, ca. 80 mol percent; 2-vinyl-4,4-dimethyl-2-oxazolin-5-one, ca. 20 mol percent

poly[(N-isopropyl acrylamide)-co-(vinyl azlactone)], Mw 5.1E5 Da by viscosimetry in THF at 30 deg C; monomer(s): N-isopropyl acrylamide, ca. 80 mol percent; 2-vinyl-4,4-dimethyl-2-oxazolin-5-one, ca. 20 mol percent

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In tert-butyl alcohol at 70℃; for 20h;96%
2675-94-7

N,N-diethylacrylamide

29513-26-6

vinyl azlactone

poly(N,N-diethylacrylamide-co-vinylazalactone), Mn: ca. 20000; Monomer(s): N,N-diethylacrylamide; 2-vinyl-4,4-dimethyl-2-oxazoline-5-one

poly(N,N-diethylacrylamide-co-vinylazalactone), Mn: ca. 20000; Monomer(s): N,N-diethylacrylamide; 2-vinyl-4,4-dimethyl-2-oxazoline-5-one

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In tert-butyl alcohol at 80 - 85℃; for 15h;85.74%
29513-26-6

vinyl azlactone

227000-59-1

N-tert-butyl-N-(2-methyl-1-phenyl-propyl)-O-(1-phenyl-ethyl)-hydroxylamine

poly(2-vinyl-4,4-dimethyl-5-oxazolone), product of living radical polymerization, Mn = 25.0 kDa, polydispersity = 1.04; monomer(s): 2-vinyl-4,4-dimethyl-5-oxazolone; N-(t-butyl)-N-(1-phenyl-2-methylpropyl)-O-(1-phenylethyl)hydroxylamine

poly(2-vinyl-4,4-dimethyl-5-oxazolone), product of living radical polymerization, Mn = 25.0 kDa, polydispersity = 1.04; monomer(s): 2-vinyl-4,4-dimethyl-5-oxazolone; N-(t-butyl)-N-(1-phenyl-2-methylpropyl)-O-(1-phenylethyl)hydroxylamine

Conditions
ConditionsYield
With N-tert-butyl-2-methyl-1-phenyl-propylnitroxide at 123℃; for 4h;85%
29513-26-6

vinyl azlactone

4064-06-6

1,2:3,4-di-O-isopropylidene-α-D-galactopyranose

1379438-08-0

6-O-(2'-acrylamido-2'-methylpropanoate)-1,2:3,4-di-O-isopropylidene-D-galactopyranose

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0 - 20℃;84%
111790-37-5

N-biotinyl-1,2-diaminoethane

29513-26-6

vinyl azlactone

C19H31N5O4S

Conditions
ConditionsYield
In water for 0.0833333h; Michael Addition;80%
60-12-8

2-phenylethanol

29513-26-6

vinyl azlactone

2-Acryloylamino-2-methyl-propionic acid phenethyl ester

Conditions
ConditionsYield
With dmap at 40℃; for 120h;70%
110186-64-6

1-[4-(2-aminoethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one

29513-26-6

vinyl azlactone

N-[1-({2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl}carbamoyl)-1-methylethyl]prop-2-enamide

Conditions
ConditionsYield
In dichloromethane at 20℃; for 24h;70%
60-12-8

2-phenylethanol

29513-26-6

vinyl azlactone

A

2-Acryloylamino-2-methyl-propionic acid phenethyl ester

B

215036-11-6

4,4-Dimethyl-2-(2-phenethyloxy-ethyl)-4H-oxazol-5-one

C

2-Methyl-2-(3-phenethyloxy-propionylamino)-propionic acid phenethyl ester

Conditions
ConditionsYield
With trifluoroacetic acid at 40℃; for 18h; reaction 2-alkenyl-5(4H)-oxazolones with primary, secondary and tertialy alkohols, freaquency of C=C (Michael addition) and C=O (ring opening);A 35%
B 6%
C 26%
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  • 4,4-Dimethyl-2-vinyl-2-oxazolin-5-one

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    4,4-Dimethyl-2-vinyl-2-oxazolin-5-one

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Specification

The 5(4H)-Oxazolone,2-ethenyl-4,4-dimethyl-, with the CAS registry number 29513-26-6, is also known as 2-Ethenyl-4,4-dimethyl-1,3-oxazolin-5-one. It belongs to the product categories of Glycinescaffold; Phosgene Derivatives. This chemical's molecular formula is C7H9NO2 and molecular weight is 139.15. Its systematic name is called 2-ethenyl-4,4-dimethyl-1,3-oxazol-5(4H)-one. When you are using this chemical, please be cautious about it. This chemical is flammable. You should keep it away from sources of ignition - No smoking.

Physical properties of 5(4H)-Oxazolone,2-ethenyl-4,4-dimethyl-: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 72; (7)ACD/KOC (pH 7.4): 72; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.499; (11)Molar Refractivity: 37.525 cm3; (12)Molar Volume: 127.774 cm3; (13)Surface Tension: 33.213 dyne/cm; (14)Density: 1.089 g/cm3; (15)Flash Point: 49.107 °C; (16)Enthalpy of Vaporization: 39.353 kJ/mol; (17)Boiling Point: 156.833 °C at 760 mmHg; (18)Vapour Pressure: 2.835 mmHg at 25°C.

Uses of 5(4H)-Oxazolone,2-ethenyl-4,4-dimethyl-: it can be used to produce 2-acryloylamino-2-methyl-propionic acid phenethyl ester at temperature of 40 °C. This reaction will need reagent 4-dimethylaminopyridine with reaction time of 120 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O\C(=N/C1(C)C)\C=C
(2)InChI: InChI=1/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
(3)InChIKey: QKPKBBFSFQAMIY-UHFFFAOYAO