Product Name

  • Name

    N-[4-(5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)PHENYL]GLYCINE

  • EINECS 460-450-2
  • CAS No. 872728-82-0
  • Article Data3
  • CAS DataBase
  • Density 1.578 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H9N3O4
  • Boiling Point 460.358 °C at 760 mmHg
  • Molecular Weight 235.199
  • Flash Point 232.217 °C
  • Transport Information
  • Appearance White solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 872728-82-0 (N-[4-(5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)PHENYL]GLYCINE)
  • Hazard Symbols
  • Synonyms 2-[4-(5-oxo-2H-1,2,4-oxadiazol-3-yl)anilino]acetic acid
  • PSA 108.22000
  • LogP 0.59940

Synthetic route

2-[4-(5-oxo-1,2,4-oxadiazol-3-yl)phenylamino]acetic acid ethyl ester
872728-83-1

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
872728-82-0

2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid

Conditions
ConditionsYield
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
872728-82-0

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
212322-56-0

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
872728-84-2

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
ConditionsYield
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
872728-82-0

2-[4-(1,2,4-oxadiazol-5-one-3-yl)-phenylamino]-acetic acid

acetic acid
64-19-7

acetic acid

ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate
212322-56-0

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-on-3-yl)phenyl]aminomethyl]benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide diacetate

1-methyl-2-[N-[4-(1,2,4-oxadiazol-5-on-3-yl)phenyl]aminomethyl]benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide diacetate

Conditions
ConditionsYield
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%

Glycine,N-[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]- Specification

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

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