| Identification | Back 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 Properties | Back Directory | [Boiling point ]
329.1±42.0 °C(Predicted) | [density ]
1.227 | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
Solid | [pka]
7.55±0.10(Predicted) | [color ]
Light yellow to yellow | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline is a pale yellow to yellow solid at room temperature, with a predicted boiling point of 329.1±42.0°C (760 mmHg), a density of 1.227 g/cm³ (or 1.2±0.1 g/cm³), a predicted pKa of 7.55±0.10, a flash point of 152.9±27.9°C, a refractive index of 1.529, and an extremely low vapor pressure (0.0±0.7 mmHg at 25°C). It needs to be stored at 2-8°C in a light-protected, sealed environment under an inert gas (nitrogen or argon) atmosphere. | [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]
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.
| [References]
[1] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 20, p. 7150 - 7163
[2] Patent: CN105461659, 2016, A. Location in patent: Paragraph 0032; 0033; 0034; 0065; 0066; 0067
[3] Patent: WO2015/186137, 2015, A1. Location in patent: Page/Page column 19
[4] Patent: WO2005/51366, 2005, A2. Location in patent: Page/Page column 62
[5] Patent: WO2005/51366, 2005, A2. Location in patent: Page/Page column 62 |
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