4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
- CAS NO.：694499-26-8
- Empirical Formula: C13H18F3N3
- Molecular Weight: 273.3
- MDL number: MFCD09909924
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-24 18:12:21
What is 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline?
The Uses of 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
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.
Properties of 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
| Boiling point: | 329.1±42.0 °C(Predicted) |
| Density | 1.227 |
| storage temp. | under inert gas (nitrogen or Argon) at 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 |
Safety information for 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
| InChIKey | ZMWAZMYBMAAMAW-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(CN2CCN(C)CC2)C(C(F)(F)F)=C1 |
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