| Identification | More | [Name]
3-Methyl-3-pyrazolin-5-one | [CAS]
4344-87-0 | [Synonyms]
3-METHYL-3-PYRAZOLIN-5-ONE
3 METHYLPYRAZOLONE
AKOS B028792
3-METHYL-3-PARAZOLIN-5-ONE
3-METHYL-2-PYRAZOLIN-5-ONE (PILOT)
1,2-Dihydro-3-methyl-5H-pyrazol-5-one
3-Hydroxy-5-methyl-1H-pyrazole
3-Methyl-3-pyrazoline-5-one
5-Methyl-1,2-dihydro-3H-pyrazole-3-one
5-Methyl-1H-pyrazole-3(2H)-one
5-Methyl-1H-pyrazole-3-ol | [Molecular Formula]
C4H6N2O | [MDL Number]
MFCD00010705 | [Molecular Weight]
98.1 | [MOL File]
4344-87-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
223-225 °C (lit.) | [density ]
1.107±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
1 M NH4OH: soluble25mg/mL, clear, colorless (in methanol) | [form ]
solid | [pka]
9.04±0.70(Predicted) | [color ]
Off White | [InChI]
1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7) | [InChIKey]
WGVHNCAJPFIFCR-UHFFFAOYSA-N | [SMILES]
CC1=CC(=O)NN1 | [CAS DataBase Reference]
4344-87-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
2933119000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow crystalline powder | [Uses]
3-Methyl-3-pyrazolin-5-one was used in the preparation of substituted 4-alkyl(cycloalkyl)-2-amino-3-cyano-4H-pyrans. | [General Description]
3-Methyl-3-pyrazolin-5-one is an intermediate in the synthesis of heterocyclic compounds. Crystal structure of 3-methyl-3-pyrazolin-5-one was studied. | [Synthesis]
GENERAL METHODS: Phenylhydrazine (1 mmol), ethyl acetoacetate (1 mmol) and cobalt doped ZnS nanoparticles (5 mol%) were mixed in a Borosil beaker. The reaction mixture was homogeneously mixed using a glass rod and placed in an infrared reactor (360 W) for irradiation. The reaction process was monitored by thin layer chromatography (TLC). After completion of the reaction, the mixture was cooled to room temperature. Subsequently, the reaction mixture was diluted with water and extracted with ethyl acetate. The organic phase was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent to give the crude product. The crude product was purified by recrystallization from hot ethanol. Nanoparticles were recovered by sonication of the aqueous phase and could be reused four times in the same reaction. | [References]
[1] Journal of Molecular Catalysis A: Chemical, 2013, vol. 373, p. 61 - 71
[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016, vol. 55B, # 4, p. 507 - 516
[3] Patent: WO2015/200650, 2015, A1. Location in patent: Paragraph 0532-0534
[4] Chemische Berichte, 1896, vol. 29, p. 257
[5] Journal fuer Praktische Chemie (Leipzig), 1889, vol. <2> 39, p. 52 |
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| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|