4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Chemical Properties

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)

form 

Solid

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

Safety Information

HS Code 

2933599590

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Usage And Synthesis

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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