2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene

2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene 구조식 이미지
카스 번호:
1030825-20-7
상품명:
2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene
동의어(영문):
2-[(5-Bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene;)-5-(4-fL;Canogliflozin;Canagliflozin-19;CanagliflozinINT;Canagliflozin INT4;2-(5-Bromo-2-methyL;CAGLIFLOZIN IMPURITY C;Canagliflozin Bromo Imp;Canagliflozin Impurity 52
CBNumber:
CB72603549
분자식:
C18H14BrFS
포뮬러 무게:
361.27
MOL 파일:
1030825-20-7.mol

2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene 속성

녹는점
103 °C
끓는 점
438.3±40.0 °C(Predicted)
밀도
1.388
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨, 가열됨), 헥산(약간 용해됨,가열됨)
물리적 상태
고체
물리적 상태
단단한 모양
색상
흰색에서 황백색까지
InChI
InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChIKey
VLRIERSBZHUCOW-UHFFFAOYSA-N
SMILES
C1(CC2=CC(Br)=CC=C2C)SC(C2=CC=C(F)C=C2)=CC=1
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
HS 번호 2934999090
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:
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P321 (…) 처치를 하시오.
P332+P313 피부 자극이 생기면 의학적인 조치· 조언을 구하시오.
P362 오염된 의복을 벗고 세척 후에 재사용하기

2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene C화학적 특성, 용도, 생산

Synthesis

prepares 2-(4-fluorophenyl) thiophene III:
Prepared by Grignard reagent: N 2under protection; magnesium chips (11.7g is added in the 500mL there-necked flask that thermometer, reflux condensing tube, constant pressure funnel be housed; 480mmol), THF (15.0mL), drips 2 p-Fluoro bromo benzenes; add the initiation reaction of 2 iodine post-heating; p-Fluoro bromo benzene (70.0g, 400mmol) is dissolved in THF (250mL), after under reflux, drip the THF solution of p-Fluoro bromo benzene; drip Bi Baowen backflow 2h, GC detection feedstock conversion complete.
synthesis of 	2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene
Linked reaction: N 2under protection; in the 1000mL there-necked flask that thermometer, reflux condensing tube, constant pressure funnel be housed, add 2-bromothiophene (52.2g, 320mmol), under stirring, add two (methyl ethyl diketone) palladium (23.4mg; 0.0320mmol); THF (200mL), is heated to 50 DEG C, the above-mentioned Grignard reagent prepared of rear dropping; drip to finish and be warming up to 60 DEG C; insulation 1h, GC detect to raw material reaction complete, terminate reaction.System is cooled to 30 DEG C, drips dilute hydrochloric acid (2M, 150mL) under ice-water bath, drips complete vigorous stirring 0.5h, removes ice-water bath and make system naturally rise to room temperature, stratification, water layer CH 2cl 2(100mL × 3) extract, merge organic phase saturated sodium-chloride 200mL to wash, rear drying, concentrating under reduced pressure obtain light tan solid, vacuum-drying to constant weight obtains 2-(4-fluorophenyl) thiophene III (57.4g, 312mmol), it is 98.5% that GC detects purity, and yield is 99.1%.
1H NMR(500MHz,CDCl 3)δ7.65~7.54(m,2H),7.33~7.22(m,2H),7.14~7.03(m,3H).Gc-Ms:178.1.

2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene 준비 용품 및 원자재

원자재

준비 용품


2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene 공급 업체

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