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

Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1) → 7-Fluoro-2-(2-hydroxy-1,1-dimethylethyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile

HRID 17354
노트
인쇄 미리보기

반응식

HRID 17354 반응식
[C:1]([C:3]1[C:4]([CH3:25])=[C:5]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:6]([F:18])=[C:7]([OH:17])[C:8]=1[NH:9][C:10](=O)[C:11]([CH3:15])([CH3:14])[CH2:12][OH:13])#[N:2].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1>C1(C)C=CC=CC=1.C(OCC)(=O)C>[F:18][C:6]1[C:5]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[C:4]([CH3:25])[C:3]([C:1]#[N:2])=[C:8]2[C:7]=1[O:17][C:10]([C:11]([CH3:14])([CH3:15])[CH2:12][OH:13])=[N:9]2
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 466102Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)HCID 86630840N-(3-Cyano-6-fluoro-5-hydroxy-2-methyl[1,1'-biphenyl]-4-yl)-3-hydroxy-2,2-dimethylpropanamide

생성물 1

HCID 685859577-Fluoro-2-(2-hydroxy-1,1-dimethylethyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile수율 68%

시약·촉매·용매 2

HCID 1140Toluene용매
HCID 8857
Ethyl Acetate
용매

실험 절차

N-(3-Cyano-6-fluoro-5-hydroxy-2-methyl[1,1′-biphenyl]-4-yl)-3-hydroxy-2,2-dimethylpropanamide (I-98) (184 mg, 0.54 mmol) was dissolved in toluene (3.7 ml), pyridinium p-toluenesulfonate (34 mg, 0.13 mmol) was added, followed by stirring under heat for 15 hours. After cooling to room temperature, this was diluted with ethyl acetate, washed with aqueous sodium hydrogencarbonate solution and saturated brine. The obtained organic layer was dried over anhydrous sodium sulfate, the solvent was evaporated away under reduced pressure. The resulting residue was recrystallized and purified with diisopropyl ether/ethyl acetate to obtain the entitled compound (118.6 mg, 68%) as a white solid.

후처리

  1. temperatureunder heat for 15 hours
  2. washwashed with aqueous sodium hydrogencarbonate solution and saturated brine
  3. dry with materialThe obtained organic layer was dried over anhydrous sodium sulfate
  4. customthe solvent was evaporated away under reduced pressure
  5. customThe resulting residue was recrystallized
  6. custompurified with diisopropyl ether/ethyl acetate

출처 및 근거

ORD 기록
ord-12851e62832341b3919bbaae660a156f
출처 데이터셋
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07737166B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트