| Identification | Back Directory | [Name]
5-AMINO-3-ETHYL-1H-PYRAZOLE | [CAS]
1904-24-1 | [Synonyms]
H50782
3-AMino-5-ethylpyrazole
5-AMINO-3-ETHYL-1H-PYRAZOLE
5-ethyl-3-aMino-1H-pyrazole
3-Amino-5-ethyl-2H-pyrazole
5-ETHYL-2H-PYRAZOL-3-YLAMINE
1H-Pyrazol-3-amine, 5-ethyl-
3-Ethyl-1H-pyrazol-5-amine hydrochloride | [Molecular Formula]
C5H9N3 | [MDL Number]
MFCD02255832 | [MOL File]
1904-24-1.mol | [Molecular Weight]
111.15 |
| Chemical Properties | Back Directory | [Boiling point ]
313.8±22.0 °C(Predicted) | [density ]
1.126 g/mL at 25 °C | [Fp ]
>110℃ | [refractive index ]
1.5420 | [storage temp. ]
Keep in dark place,Sealed in dry,Store in freezer, under -20°C | [form ]
solid | [pka]
15.84±0.10(Predicted) | [Appearance]
Light yellow to yellow Liquid | [InChI]
InChI=1S/C5H9N3/c1-2-4-3-5(6)8-7-4/h3H,2H2,1H3,(H3,6,7,8) | [InChIKey]
AXDGPQLEVYSXNL-UHFFFAOYSA-N | [SMILES]
N1C(CC)=CC(N)=N1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36/37/38 | [Safety Statements ]
23-26-36/37/39 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
2933199090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
3-Amino-5-ethyl-1H-pyrazole is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. | [Definition]
ChEBI: 3-Amino-5-ethyl-1H-pyrazole is a dicarboximide and a heterocyclic compound. | [Synthesis]
GENERAL STEPS: 3-Oxopentanenitrile (XXXV; 2 g; 21 mmol) was dissolved in ethanol (60 mL) under stirring conditions, followed by the addition of hydrazine hydrate (1.3 mL; 41 mmol). The reaction mixture was heated to reflux for 12 hours. Upon completion of the reaction, the mixture was cooled to room temperature and concentrated under reduced pressure. The crude product was purified by column chromatography (eluent: 8% methanol-dichloromethane) to afford 5-ethyl-1H-pyrazol-3-amine (XXXVI; 1.8 g; 78% yield) as a brown viscous solid. The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 11.0 (broad single peak, 1H), 5.17 (single peak, 1H), 4.5 (broad single peak, 2H), 2.4 (multiple peaks, 2H), and 1.1 (triple peak, 3H). Mass spectrometry analysis showed a molecular ion peak (M+1) of 111.93. | [References]
[1] Patent: WO2015/97122, 2015, A1. Location in patent: Page/Page column 92
[2] Patent: WO2007/99326, 2007, A1. Location in patent: Page/Page column 114 |
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