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

- CAS No.
- 694499-26-8
- Chemical Name:
- 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
- Synonyms
- PON50;SW-53;SWF-53;AP24592;RMA-315;Ponatinib int2;Ponatinib Impurity 3;Pralsetinib Impurity 1;Intermediate of Ponatinib;4-(4-Methylpiperazinomethyl)-3-
- CBNumber:
- CB92520701
- Molecular Formula:
- C13H18F3N3
- Molecular Weight:
- 273.3
- MOL File:
- 694499-26-8.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/4/17 18:22:24
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
Risk and Safety Statements
Symbol(GHS) | ![]() GHS07 |
---|---|
Signal word | Warning |
Hazard statements | H302+H332-H315-H319-H335 |
Precautionary statements | P280 |
HS Code | 2933599590 |
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Chemical Properties,Uses,Production
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.
Supplier | Tel | Country | ProdList | Advantage | Inquiry |
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Neochemsys Laboratories Pvt Ltd | +918498007788 | Hyderabad, India | 93 | 58 | Inquiry |
CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6700 | 30 | Inquiry |
A.J Chemicals | 91-9810153283 | New Delhi, India | 6100 | 58 | Inquiry |
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career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29858 | 58 | Inquiry |
PharmOrgSyn Laboratories Co., Ltd. | +86-021-38228826 +86-13916602830 | China | 139 | 58 | Inquiry |
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Unibest Industrial Co.,Ltd. | +86-0574-27855777 +8618758850676 | China | 232 | 58 | Inquiry |
RongNa Biotechnology Co.,Ltd | +86-86-13583358881 +8618560316533 | China | 3084 | 58 | Inquiry |
Capot Chemical Co.,Ltd. | +86-(0)57185586718 +86-13336195806 | China | 29730 | 60 | Inquiry |
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