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Cas Database |
| Name |
1,3,4-Oxadiazole-2-carboxylicacid, 5-amino-, ethyl ester |
EINECS | N/A |
| CAS No. | 4970-53-0 | Density | 1.362 g/cm3 |
| PSA | 91.24000 | LogP | 0.40970 |
| Solubility | N/A | Melting Point |
199 °C |
| Formula | C5H7N3O3 | Boiling Point | 289.1 °C at 760 mmHg |
| Molecular Weight | 157.129 | Flash Point | 128.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate; |
Article Data | 6 |
1,3,4-Oxadiazole-2-carboxylicacid, 5-amino-, ethyl ester Synthetic route
- 506-68-3
bromocyane
- 95-92-1
oxalic acid diethyl ester
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Stage #1: oxalic acid diethyl ester With hydrazine hydrate In ethanol at -20℃; for 0.5h; Stage #2: bromocyane In ethanol; water at 20℃; for 1h; | 31% |
- 999-47-3
ethyl 2-(2-carbamoylhydrazono)acetate
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: bromine; acetic acid; sodium acetate / 24 h / 20 °C 2: triethylamine / toluene / 0.17 h / 20 - 80 °C View Scheme | |
| Multi-step reaction with 2 steps 1: bromine; sodium acetate; acetic acid / 24 h / 20 °C 2: triethylamine / toluene / 0.17 h / 20 - 80 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium acetate; bromine / acetic acid / 24 h / 20 °C 2: triethylamine / toluene / 0.17 h / 80 °C View Scheme |
- 13599-88-7
ethyl 2-bromo-2-(2-carbamoylhydrazono)acetate
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In toluene at 20 - 80℃; for 0.166667h; | 1.04 g |
| With triethylamine In toluene at 20 - 80℃; for 0.166667h; | 1.04 g |
| With triethylamine In toluene at 80℃; for 0.166667h; | 1.04 g |
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
- 4970-55-2
5-amino-1,3,4-oxadiazole-2-carboxylic acid amide
| Conditions | Yield |
|---|---|
| With ammonia In methanol at 20℃; for 18h; Concentration; Temperature; Solvent; Sealed tube; | 99% |
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate at 80℃; for 12h; | 98% |
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide for 1h; | 82% |
- 1780-26-3
2,4-dichloro-2-methylpyrimidine
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate In N,N-dimethyl-formamide at 110℃; for 36h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Buchwald-Hartwig Coupling; Schlenk technique; Inert atmosphere; | 71% |
| Conditions | Yield |
|---|---|
| With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 25℃; for 18h; | 70% |
| With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 25℃; for 18h; | 70% |
- 2915-15-3
4-chloro-2-methyl-6-phenyl-pyrimidine
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate In N,N-dimethyl-formamide at 110℃; for 36h; Buchwald-Hartwig Coupling; Schlenk technique; Inert atmosphere; | 70% |
- 24424-99-5
di-tert-butyl dicarbonate
- 4970-53-0
5-amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
- 1258411-53-8
ethyl 5-[[(tert-butoxy)carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate
| Conditions | Yield |
|---|---|
| With dmap; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 40℃; | 67% |
| Stage #1: 5-amino[1,3,4]oxadiazole-2-carboxylic acid ethyl ester With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: di-tert-butyl dicarbonate In N,N-dimethyl-formamide at 20℃; for 16h; | 56.2% |
| With triethylamine In N,N-dimethyl-formamide at 20℃; for 12h; | 55% |
1,3,4-Oxadiazole-2-carboxylicacid, 5-amino-, ethyl ester Specification
The 1,3,4-Oxadiazole-2-carboxylicacid, 5-amino-, ethyl ester is the organic compound with the formula C5H7N3O3. With the CAS registry number 4970-53-0, its IUPAC name is ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate. The substance should be sealed and stored in dry and well-ventilated place.
Physical properties of 1,3,4-Oxadiazole-2-carboxylicacid, 5-amino-, ethyl ester: (1)ACD/LogP: -0.15; (2)ACD/LogD (pH 5.5): -0.15; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.86; (7)ACD/KOC (pH 7.4): 19.86; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 35.37 cm3; (13)Molar Volume: 115.3 cm3; (14)Surface Tension: 59.2 dyne/cm; (15)Density: 1.362 g/cm3; (16)Flash Point: 128.6 °C; (17)Enthalpy of Vaporization: 52.84 kJ/mol; (18)Boiling Point: 289.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00224 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=NN=C(O1)N
(2)InChI: InChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
(3)InChIKey: JZSBFOOEPYPCPW-UHFFFAOYSA-N
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