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2-[4-(5-oxo-1,2,4-oxadiazol-3-yl)phenylamino]acetic acid ethyl ester
2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid
Conditions | Yield |
---|---|
Stage #1: 2-[4-(5-oxo-1,2,4-oxadiazol-3-yl)phenylamino]acetic acid ethyl ester With sodium hydroxide; water at 20 - 60℃; for 1h; pH=12.5; Stage #2: With hydrogenchloride at 0 - 60℃; pH=5; | 98% |
With sodium hydroxide; water at 20 - 60℃; pH=12.5; Product distribution / selectivity; | 98% |
Stage #1: 2-[4-(5-oxo-1,2,4-oxadiazol-3-yl)phenylamino]acetic acid ethyl ester With sodium hydroxide; water at 20 - 60℃; pH=12.5; Stage #2: With hydrogenchloride In water pH=3; Product distribution / selectivity; | 98% |
Stage #1: 2-[4-(5-oxo-1,2,4-oxadiazol-3-yl)phenylamino]acetic acid ethyl ester With sodium hydroxide; water at 20 - 60℃; for 1h; pH=12.5; Stage #2: With hydrogenchloride In water pH=3; | 98% |
2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid
ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate
1-methyl-2-[N-[4-(1,2,4-oxadiazol-5-one-3-yl)phenyl]-amino-methyl]-benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide
Conditions | Yield |
---|---|
Stage #1: 2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid; ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate at 20℃; for 1.5h; Stage #2: With acetic acid at 90℃; Product distribution / selectivity; | 85% |
Stage #1: 2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid; ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate at 20℃; for 1.5h; Stage #2: With acetic acid at 90℃; Product distribution / selectivity; | 85% |
Stage #1: 2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid With pivaloyl chloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 0℃; for 0.5h; Stage #2: ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate With acetic acid In tetrahydrofuran; 1-methyl-pyrrolidin-2-one for 3h; Product distribution / selectivity; Heating / reflux; | 76% |
2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid
acetic acid
ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate
Conditions | Yield |
---|---|
Stage #1: 2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid; ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate With 1,1'-carbonyldiimidazole In tetrahydrofuran at 50℃; for 19.5h; Stage #2: acetic acid In tetrahydrofuran for 1h; Heating / reflux; | 75% |
The Glycine,N-[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]- is an organic compound with the formula C10H9N3O4. The systematic name of this chemical is N-[4-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]glycine. With the CAS registry number 872728-82-0, it is also named as 2-(4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylamino)acetic acid.
Physical properties about Glycine,N-[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]- are: (1)ACD/LogP: 0.08; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 100.02 Å2; (6)Index of Refraction: 1.685; (7)Molar Refractivity: 56.638 cm3; (8)Molar Volume: 149.087 cm3; (9)Polarizability: 22.453×10-24cm3; (10)Surface Tension: 66.855 dyne/cm; (11)Density: 1.578 g/cm3; (12)Flash Point: 232.217 °C; (13)Enthalpy of Vaporization: 75.971 kJ/mol; (14)Boiling Point: 460.358 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNc2ccc(\C1=N\C(=O)ON1)cc2
(2)InChI: InChI=1/C10H9N3O4/c14-8(15)5-11-7-3-1-6(2-4-7)9-12-10(16)17-13-9/h1-4,11H,5H2,(H,14,15)(H,12,13,16)
(3)InChIKey: USTVSOSEROPCIX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H9N3O4/c14-8(15)5-11-7-3-1-6(2-4-7)9-12-10(16)17-13-9/h1-4,11H,5H2,(H,14,15)(H,12,13,16)
(5)Std. InChIKey: USTVSOSEROPCIX-UHFFFAOYSA-N