2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline

2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline 구조식 이미지
카스 번호:
1609394-10-6
상품명:
2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline
동의어(영문):
2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)benzenamine;Benzenamine, 2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)-;EOS-61512;Deucravacitinib Impurity 8;BMS-986165 Related Compound 3;2-Methoxy-3-(1-methyl-1,2,4-triazol-3-YL)aniline;2-methoxybenzyl carbamimidothioate hydrochloride;2-Methoxy-3-(1-methy-1H-1 ,2,4-triazol-3-yl)aniline;2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline;2-Methoxy-3-(1-methyl-1H-[1,2,4]triazol-3-yl)-phenylamine
CBNumber:
CB23122644
분자식:
C10H12N4O
포뮬러 무게:
204.23
MOL 파일:
1609394-10-6.mol

2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline 속성

끓는 점
437.6±55.0 °C(Predicted)
밀도
1.29±0.1 g/cm3(Predicted)
용해도
DMSO (약간 용해됨)
산도 계수 (pKa)
3.45±0.10(Predicted)
물리적 상태
고체
물리적 상태
단단한 모양
색상
옅은 주황색에서 갈색까지
InChI
InChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3
InChIKey
FIAZRZSVFOMYSD-UHFFFAOYSA-N
SMILES
C1(N)=CC=CC(C2N=CN(C)N=2)=C1OC

안전

2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline C화학적 특성, 용도, 생산

화학적 성질

white solid

용도

2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline is used in the preparation of pyridazines which is a heterodimeric cytokines modulators for treatment of diseases.

Synthesis

To a high pressure reactor flushed with nitrogen were charged methanol (8.0 kg/kg) and Compound 6 (1.0 kg). With careful exclusion of oxygen, sodium bicarbonate (0.6 kg/kg, 2.0 equiv.) and Pd/C (10% loading, 50 % wet, 0.02 kg/kg)  were added. The reactor was pressurized with hydrogen (41-46 psi), and the reaction mixture was aged at 20 °C for 6 h then heated to 45 °C and aged till reaction reached completion. The reactor was flushed with nitrogen, and the reaction crude was filtered to remove Pd/C. Methanol (5 kg/kg) was used to aid the transfer. The combined filtrates were distilled under vacuum until total volume became approximately 2.5 L/kg. Water (10 kg/kg) was added, and the crude was distilled under vacuum until total volume became approximately 2.5 L/kg. The crude was heated to 70 °C. Brine (25 wt%, 9.0 kg/kg) was added, and the resulting crude was agitated for 6 h at 70 °C. After cooling down to 0 °C, the crude was further aged for 6 h. Product was isolated by filtration. The cake was washed with brine (pre-cooled to 0 °C, 25 wt%, 2.0 kg/kg), and dried under vacuum at 45 °C.  2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline was isolated in 99 AP and 88% yield.
synthesis of 2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline

2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline 준비 용품 및 원자재

원자재

준비 용품


2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline 공급 업체

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