| Identification | More | [Name]
5-METHYL-1,3,4-OXADIAZOL-2-YLAMINE | [CAS]
52838-39-8 | [Synonyms]
CHEMBRDG-BB 4013100
5-METHYL-1,3,4-OXADIAZOL-2-AMINE
2-AMINO-5-METHYL-1,3,4-OXADIAZOL
2-AMINO-5-METHYL-1,3,4-OXADIAZOLE
5-METHYL-1,3,4-OXADIAZOL-2-YLAMINE
1,3,4-Oxadiazol-2-amine, 5-methyl-
5-Methyl-1，3，4-oxadiazol-2-amine,0.98
5-methyl-1,3,4-oxadiazol-2-amine 0.02Na3PO4
5-Methyl-1,3,4-oxadiazol-2-aMine (SALTDATA: FREE)
5-methyl-1,3,4-oxadiazol-2-amine(SALTDATA: 0.02Na3PO4) | [Molecular Formula]
C3H5N3O | [MDL Number]
MFCD03703470 | [Molecular Weight]
99.09 | [MOL File]
52838-39-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
185-186°C | [Boiling point ]
228.8±23.0 °C(Predicted) | [density ]
1.283±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C(protect from light) | [pka]
-0.42±0.13(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6) | [InChIKey]
XPXWYVCQCNFIIJ-UHFFFAOYSA-N | [SMILES]
O1C(C)=NN=C1N | [CAS DataBase Reference]
52838-39-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H332-H335 | [Precautionary statements ]
P261-P280-P305+P351+P338 | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HazardClass ]
IRRITANT | [HS Code ]
2922390090 |
| Hazard Information | Back Directory | [Uses]
5-Methyl-1,3,4-oxadiazol-2-amine is used to study structure-activity relationships of endonuclease 1 inhibitors. | [Synthesis]
General procedure for the synthesis of 5-methyl-1,3,4-oxadiazol-2-amine from 2-acetylhydrazinecarboxamide: 1.17 g (9.99 mmol) of 2-acetylhydrazinecarboxamide was suspended in 23 mL of dimethoxyethane, and 1.68 g (10.96 mmol) of phosphorochloride was added. The reaction mixture was stirred at 70 °C for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. To the residue, 10 mL of water and 100 mL of ethyl acetate were added, followed by the addition of sodium carbonate to adjust the pH of the aqueous phase to 8. The mixed solution was extracted with ethyl acetate (100 mL x 2), and the organic layers were combined and dried over anhydrous sodium sulfate. The organic solvent was removed by distillation under reduced pressure to give 0.50 g of 5-methyl-1,3,4-oxadiazol-2-amine as a white solid. | [References]
[1] Patent: JP2017/25054, 2017, A. Location in patent: Paragraph 0230
[2] Patent: JP2018/76298, 2018, A. Location in patent: Paragraph 0201; 0202 |
|
|