| Identification | More | [Name]
3-METHYL-5-(TRIFLUOROMETHYL)PYRAZOLE | [CAS]
10010-93-2 | [Synonyms]
3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE
3-METHYL-5-(TRIFLUOROMETHYL)PYRAZOLE
3-TRIFLUOROMETHYL-5-(METHYL)PYRAZOLE
5-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE
AKOS B014453
AKOS BBS-00002817
AKOS PAO-1201
AKOS PAO-1253
ART-CHEM-BB B014453
BUTTPARK 29\08-72
BUTTPARK 76\07-66
CBI-BB ZERO/006128
TIMTEC-BB SBB004075
Pyrazole, 3(or 5)-methyl-5(or 3)-(trifluoromethyl)-
Pyrazole, 3-methyl-5-(trifluoromethyl)-
3-METHYL-5-(TRIFLUOROMETHYL)PYRAZOLE 99%
3-Methyl-5-trifluoromethyl-1H-pyrazole ,97% | [Molecular Formula]
C5H5F3N2 | [MDL Number]
MFCD00156058 | [Molecular Weight]
150.1 | [MOL File]
10010-93-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
88-90 °C(lit.)
| [Boiling point ]
187℃ | [density ]
1.355 | [Fp ]
67℃ | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
Powder | [pka]
11.12±0.10(Predicted) | [color ]
White | [Detection Methods]
HPLC | [InChI]
InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10) | [InChIKey]
DLCHCAYDSKIFIN-UHFFFAOYSA-N | [SMILES]
N1C(C(F)(F)F)=CC(C)=N1 | [CAS DataBase Reference]
10010-93-2(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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
White to orange solid | [Uses]
3-Methyl-5-(trifluoromethyl)pyrazole is a reagent used in the preparation of (fluoromethyl)pyrazole via microwave-assisted Stille coupling. | [Definition]
ChEBI: 3-Methyl-5-(trifluoromethyl)-1H-pyrazole is a member of pyrazoles. | [General Description]
3-Methyl-5-(trifluoromethyl)pyrazole is a pyrazole derivative. It has been reported to be synthesized from 3-methyl-5-trifluoromethyl-1H-pyrazole. | [Synthesis]
Example 127: Preparation of 5-methyl-3-trifluoromethyl-1H-pyrazole
Hydrazine hydrate (945 μl, 30 mmol) was slowly added to a solution of 1,1,1-trifluoro-2,4-pentanedione (4.62 g, 30 mmol) in methanol (20 ml) at 0 °C. The reaction mixture was gradually warmed up to room temperature and stirred at that temperature for 16 hours. After completion of the reaction, the solvent was removed by concentration under reduced pressure to give 5-methyl-3-trifluoromethyl-1H-pyrazole as a yellow solid (4.5 g, 95% yield).
1H-NMR (400 MHz, CDCl3): δ 2.35 (s, 3H, CH3), 6.32 (s, 1H, CH), 9.88 (bs, 1H, NH) ppm. | [References]
[1] Patent: WO2007/71900, 2007, A1. Location in patent: Page/Page column 88-89
[2] Tetrahedron Letters, 2016, vol. 57, # 14, p. 1555 - 1559
[3] Tetrahedron Letters, 2014, vol. 55, # 52, p. 7198 - 7202
[4] Patent: WO2013/6792, 2013, A1. Location in patent: Paragraph 0149
[5] Journal of the American Chemical Society, 1998, vol. 120, # 44, p. 11408 - 11418 |
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