| Identification | Back Directory | [Name]
3-(TERT-BUTYL)-1H-PYRAZOLE | [CAS]
15802-80-9 | [Synonyms]
3-(tert-Butyl)
3(5)-T-Butylpyrazole
3-(tert-Butyl)pyrazole
5-tert-butyl-1H-pyrazole
3-(TERT-BUTYL)-1H-PYRAZOLE
5(3)-tert-butyl-1H-pyrazole
1H-Pyrazole, 3-(1,1-dimethylethyl)-
3-tert-butyl-1H-pyrazole(SALTDATA: FREE) | [Molecular Formula]
C7H12N2 | [MDL Number]
MFCD00127337 | [MOL File]
15802-80-9.mol | [Molecular Weight]
124.18 |
| Chemical Properties | Back Directory | [Melting point ]
53-54 °C | [Boiling point ]
127 °C(Press: 0.15 Torr) | [density ]
0.972±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
14.80±0.10(Predicted) | [Appearance]
Colorless to off-white <53°C Solid,>54°C oil | [InChI]
InChI=1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9) | [InChIKey]
YIDCITOHTLPMMZ-UHFFFAOYSA-N | [SMILES]
N1C=CC(C(C)(C)C)=N1 |
| Hazard Information | Back Directory | [Synthesis]
A mixture of 3,3-dimethyl-2-butanone (6.19 mL) and bis(dimethylamino)methoxymethane (6.61 g) was heated to reflux for 10 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure. To the concentrated residue was added hydrazine monohydrate (1.60 g) and n-butanol (24.9 mL) and the mixture was heated at reflux for 7 hours. The reaction mixture was again concentrated under reduced pressure to afford 3-tert-butyl-1H-pyrazole (3.79 g, 61% yield) as a yellow oily product. The H-NMR (CDCl3) data of the product were as follows: δ 1.34 (9H, s), 6.10 (1H, d, J = 2.0 Hz), 7.49 (1H, d, J = 2.0 Hz), 10.3 (1H, br s). | [References]
[1] Patent: WO2003/99793, 2003, A1. Location in patent: Page 252 |
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| Company Name: |
Energy Chemical
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| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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