홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Hydrochloric Acid → 5-(4-Difluoromethoxy-phenyl)-3-(3-[1,3]dioxolan-2-yl-phenyl)-1H-[1,2,4]triazole

HRID 1386962
노트
인쇄 미리보기

반응식

HRID 1386962 반응식
[F:1][CH:2]([F:12])[O:3][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1.Cl.[O-]CC.[Na+].[Na].[O:19]1[CH2:23][CH2:22][O:21][CH:20]1[C:24]1[CH:25]=[C:26]([CH:31]=[CH:32][CH:33]=1)[C:27]([NH:29][NH2:30])=O>C(O)C.CCOCC>[F:1][CH:2]([F:12])[O:3][C:4]1[CH:5]=[CH:6][C:7]([C:8]2[NH:30][N:29]=[C:27]([C:26]3[CH:31]=[CH:32][CH:33]=[C:24]([CH:20]4[O:19][CH2:23][CH2:22][O:21]4)[CH:25]=3)[N:9]=2)=[CH:10][CH:11]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 313Hydrochloric AcidHCID 2723922Sodium ethoxideHCID 27369904-(Difluoromethoxy)benzonitrileHCID 5360545SodiumHCID 698299683-(1,3-Dioxolan-2-yl)benzohydrazide

생성물 1

HCID 211803345-(4-Difluoromethoxy-phenyl)-3-(3-[1,3]dioxolan-2-yl-phenyl)-1H-[1,2,4]triazole수율 62%

시약·촉매·용매 2

HCID 702Ethanol용매3회HCID 3283Diethyl Ether용매

실험 절차

To a solution of 4-(difluoromethoxy)benzonitrile (5 g, 30 mmol) in ethanol at 4° C. was bubbled dry HCl(g) for 3 h. The resulting mixture was stoppered and kept at 4° C. for 65 h. Ether (40 ml) was then added with ultrasonication to precipitate the imidate hydrochloride salt, which was washed twice with dry ether (40 ml) and then dried under vacuum (0.05 mmHg) at 20° C. To a solution of imidate hydrochloride salt (1 g, 4 mmol) in ethanol (15 ml) was added sodium ethoxide solution dropwise (sodium: 98 mg, 4 mmol in 5 ml of dry ethanol) at room temperature. The reaction was allowed to stir for a further 30 min then 3-[1,3]Dioxolan-2-yl-benzoic acid hydrazide was added (824 mg, 4 mmol) and the mixture was heated to reflux for 22 h until the starting materials were consumed. The reaction mixture was evaporated to dryness and chromatographed over SiO2 (Merck 230-400 mesh) eluting with EtOAc/nHexane (3:7), the product fractions were combined and evaporated to afford the title compound as a white solid (885 mg, 62% yield), MS: m/e=359.1 (M+).

후처리

  1. customto precipitate the imidate hydrochloride salt, which
  2. washwas washed twice with dry ether (40 ml)
  3. customdried under vacuum (0.05 mmHg) at 20° C
  4. temperaturethe mixture was heated
  5. temperatureto reflux for 22 h until the starting materials
  6. customwere consumed
  7. customThe reaction mixture was evaporated to dryness
  8. customchromatographed over SiO2 (Merck 230-400 mesh)
  9. washeluting with EtOAc/nHexane (3:7)
  10. customevaporated

출처 및 근거

ORD 기록
ord-136f5332684a4bc5a812e485ebc51524
출처 데이터셋
uspto-grants-2001_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06265426B1

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트