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380238-10-8

380238-10-8 Structure

380238-10-8 Structure
IdentificationBack Directory
[Name]

3-METHYL-1-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-AMINE
[CAS]

380238-10-8
[Synonyms]

AKOS BBS-00006677
5-Methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
3-METHYL-1-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-AMINE
5-METHYL-2-(2-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE
1H-Pyrazol-5-amine, 3-methyl-1-[2-(trifluoromethyl)phenyl]-
5-Amino-3-methyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrazole, 2-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzotrifluoride
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C11H10F3N3
[MDL Number]

MFCD02715834
[MOL File]

380238-10-8.mol
[Molecular Weight]

241.21
Chemical PropertiesBack Directory
[Boiling point ]

342.7±42.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

powder
[pka]

3.37±0.10(Predicted)
[color ]

Off-white
Safety DataBack Directory
[HS Code ]

2933199090
Hazard InformationBack Directory
[Synthesis]

3-Aminocrotononitrile

1118-61-2

1-[2-(Trifluoromethyl)phenyl]hydrazine

365-34-4

3-METHYL-1-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-AMINE

380238-10-8

GENERAL METHOD: 3-Aminobut-2-enenenitrile (10 mmol) was added to a suspension of (2-(trifluoromethyl)phenyl)hydrazine (10 mmol) in 12 M HCl-H2O (12 mL, 1:3 v/v). The reaction mixture was heated to reflux for 12 h, subsequently cooled to room temperature and neutralized with 2.5 M NaOH solution. The reaction mixture was extracted with dichloromethane (3 x 30 mL). The organic phases were combined, washed with saturated saline (20 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was ground with hexane to give a solid product, which was separated by filtration. If necessary, the product was purified by column chromatography.

[References]

[1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 11, p. 3429 - 3445
[2] Patent: WO2010/20363, 2010, A1. Location in patent: Page/Page column 136-137
[3] Journal of Combinatorial Chemistry, 2010, vol. 12, # 4, p. 510 - 517
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