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

Water → 6-nitro-2,2-dimethyl-3-(trifluoroacetamido)methyl-2H-1-benzopyran

HRID 2399318
노트
인쇄 미리보기

반응식

HRID 2399318 반응식
[F:1][C:2]([F:7])([F:6])[C:3]([NH2:5])=[O:4].[H-].[Na+].[N+:10]([C:13]1[CH:14]=[CH:15][C:16]2[O:21][C:20]([CH3:23])([CH3:22])[C:19]([CH2:24]Br)=[CH:18][C:17]=2[CH:26]=1)([O-:12])=[O:11].O>CN(C)C=O.C(OCC)(=O)C>[N+:10]([C:13]1[CH:14]=[CH:15][C:16]2[O:21][C:20]([CH3:22])([CH3:23])[C:19]([CH2:24][NH:5][C:3](=[O:4])[C:2]([F:7])([F:6])[F:1])=[CH:18][C:17]=2[CH:26]=1)([O-:12])=[O:11]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 962WaterHCID 24758Sodium hydrideHCID 67717TrifluoroacetamideHCID 193871046-nitro-2,2-dimethyl-3-bromomethyl-2H-1-benzopyran

생성물 1

HCID 193871406-nitro-2,2-dimethyl-3-(trifluoroacetamido)methyl-2H-1-benzopyran수율 32.9%

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
2회
HCID 8857Ethyl Acetate용매

반응 조건

온도
70 °C

실험 절차

2,2,2-trifluoroacetamide (0.53 g, 4.7 mmol) in dimethylformamide (2 ml) was added dropwise to a suspension of sodium hydride (80%, 1.4 g, 4.7 mmol) in dimethylformamide (2 ml). After one hour at room temperature 6-nitro-2,2-dimethyl-3-bromomethyl-2H-1-benzopyran (1.4 g, 4.7 mmol) was added and the mixture heated at 70° C. for eighteen hours. Water and ethyl acetate were added to the cooled solution and the organic phase separated and evaporated to give 0.51 g of 6-nitro-2,2-dimethyl-3-(trifluoroacetamido)methyl-2H-1-benzopyran, 1NMR (CDCl3): δ1.5 (s, 6H), 4.15 (d, 2H), 6.25 (s, 1H), 6.85 (d, 1H), 6.9 (br.s), 1H), 7.85 (s, 1H), 8.05 (d, 1H).

후처리

  1. customthe organic phase separated
  2. customevaporated

출처 및 근거

ORD 기록
ord-1bbd4b2100f1452cb632c36ffc302c1d
출처 데이터셋
uspto-grants-1995_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05447943

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트