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

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline 구조식 이미지
카스 번호:
694499-26-8
상품명:
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
동의어(영문):
PON50;SW-53;SWF-53;Ponatinib int2;Ponatinib Impurity 3;Pralsetinib Impurity 1;Intermediate of Ponatinib;4-(4-Methylpiperazinomethyl)-3-;4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline;4-(4-Methylpiperazinomethyl)-4-(trifluoromethyl)aniline
CBNumber:
CB92520701
분자식:
C13H18F3N3
포뮬러 무게:
273.3
MOL 파일:
694499-26-8.mol

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

끓는 점
329.1±42.0 °C(Predicted)
밀도
1.227
저장 조건
under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (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
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
HS 번호 2933599590
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline C화학적 특성, 용도, 생산

용도

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).

저장

Store long-term at 2-8°C.

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline 준비 용품 및 원자재

원자재

준비 용품


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

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