ChemicalBook--->CAS DataBase List--->694499-26-8

694499-26-8

694499-26-8 Structure

694499-26-8 Structure
IdentificationBack Directory
[Name]

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
[CAS]

694499-26-8
[Synonyms]

PON50
SW-53
SWF-53
Ponatinib int2
Ponatinib Impurity 3
Pralsetinib Impurity 1
4-(4-Methylpiperazinomethyl)-3-
4-(4-Methylpiperazinomethyl)-4-(trifluoromethyl)aniline
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
1-[4-Amino-2-(Trifluoromethyl)benzyl]-4-MethylPiperazine
4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline-d8
4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)aniline
4-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamine
Benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoro...
3-(trifluoromethyl)-4-((4-methylpiperazin-1-yl)methyl)benzenamine
4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzenamine
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline IN Stock
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline USP/EP/BP
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline 95+%
4-(4-METHYLPIPERAZINOMETHYL)-3-(TRIFLUOROMETHYL)ANILINE 694499-26-8
BenzenaMine, 4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)-
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline TDS msds coa
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline IN Stock COA TDS free sample
5-Amino-2-[(4-methylpiperazin-1-yl)methyl]benzotrifluoride, 1-[4-Amino-2-(trifluoromethyl)benzyl]-4-methylpiperazine
4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline 4-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamine
[Molecular Formula]

C13H18F3N3
[MDL Number]

MFCD00010635
[MOL File]

694499-26-8.mol
[Molecular Weight]

273
Chemical PropertiesBack Directory
[Boiling point ]

329.1±42.0 °C(Predicted)
[density ]

1.227
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

7.55±0.10(Predicted)
[InChI]

InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
[InChIKey]

ZMWAZMYBMAAMAW-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(CN2CCN(C)CC2)C(C(F)(F)F)=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

4-(6-Acryloyloxyhexyloxy)-benzoesure (4-cyanophenylester) can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and in the process of chemical and pharmaceutical synthesis.
[Synthesis]

Synthesis_694499-26-8
4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline Into a solution 4-methyl-1-(4-nitro-2-(trifluoromethyl)benzyl)piperazine (1.5 g, 5 mmol) in MeOH (250 mL) was added Raney Nickel (0.15 g, 10 wt %). The suspension was stirred under hydrogen atmosphere (50 psi) for 24 hrs and monitored by TLC. The reaction mixture was filtered through celite and the filtrate was concentrated under reduced pressure to yield the desired product (1.36 g, 100%). 1H NMR (300 MHz, CDCl3) |?: 7.43-7.46 (1H, d, J=9.0 Hz), 6.91 (1H, s), 6.77-6.80 (1H, d J=9.0 Hz), 3.77 (2H, s), 3.54 (2H, s), 2.53 (8H, brs), 2.34 (3H, s).
[storage]

Store long-term at 2-8°C.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline(694499-26-8)1HNMR
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