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

1-Heptanol, 7-bromo- → N-[1-({2-Chloro-4-[(7-hydroxyheptyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

HRID 1946372
노트
인쇄 미리보기

반응식

HRID 1946372 반응식
[Cl:1][C:2]1[CH:7]=[C:6]([OH:8])[CH:5]=[CH:4][C:3]=1[CH2:9][N:10]1[CH:14]=[CH:13][C:12]([NH:15][C:16](=[O:25])[C:17]2[C:22]([F:23])=[CH:21][CH:20]=[CH:19][C:18]=2[F:24])=[N:11]1.CC(C)([O-])C.[K+].Br[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][OH:40]>C(#N)C.CS(C)=O>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][OH:40])[CH:5]=[CH:4][C:3]=1[CH2:9][N:10]1[CH:14]=[CH:13][C:12]([NH:15][C:16](=[O:25])[C:17]2[C:18]([F:24])=[CH:19][CH:20]=[CH:21][C:22]=2[F:23])=[N:11]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 662841-Heptanol, 7-bromo-HCID 23665647Potassium tert-butoxideHCID 59547950N-{1-[(2-Chloro-4-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}-2,6-difluorobenzamide

생성물 1

HCID 59547851N-[1-({2-Chloro-4-[(7-hydroxyheptyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

시약·촉매·용매 2

HCID 679Dimethyl Sulfoxide용매
HCID 6342
Acetonitrile
용매

반응 조건

온도
100 °C

실험 절차

To a solution of N-{1-[(2-chloro-4-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}-2,6-difluorobenzamide (for a preparation see Example 31)(30 mg, 0.082 mmol) in acetonitrile (0.5 ml) was added potassium t-butoxide (9.4 mg, 0.084 mmol) and then 7-bromo-1-heptanol (0.015 ml, 0.099 mmol, Aldrich). The reaction vessel was sealed and heated in a Biotage Initiator microwave to 100° C. for 15 min. After cooling the reaction was diluted with DMSO (0.5 ml) and purified by MDAP on Sunfire C18 column using Acetonitrile-Water with a Formic acid modifier (Method B). The solvent was evaporated in vacuo to give the title compound as a colourless gum (6.7 mg);

후처리

  1. customThe reaction vessel was sealed
  2. temperatureAfter cooling the reaction
  3. custompurified by MDAP on Sunfire C18 column
  4. customThe solvent was evaporated in vacuo

출처 및 근거

ORD 기록
ord-115d4f7805dc4d5badd51f599480d2ab
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399436B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트