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

Methanol → 4-((3,5-dimethylisoxazol-4-yl)methoxy)-N-isobutyl-N-(2-methyl-6-(pyrrolidin-3-yl)pyridin-3-yl)benzenesulfonamide

HRID 594158
노트
인쇄 미리보기

반응식

HRID 594158 반응식
[CH3:1][C:2]1[C:6]([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([S:15]([N:18]([C:23]3[C:24]([CH3:41])=[N:25][C:26]([CH:29]4[CH2:33][CH2:32][N:31](CC5C=CC=CC=5)[CH2:30]4)=[CH:27][CH:28]=3)[CH2:19][CH:20]([CH3:22])[CH3:21])(=[O:17])=[O:16])=[CH:11][CH:10]=2)=[C:5]([CH3:42])[O:4][N:3]=1.ClC(OC(Cl)C)=O.CO>C(#N)C>[CH3:1][C:2]1[C:6]([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([S:15]([N:18]([CH2:19][CH:20]([CH3:21])[CH3:22])[C:23]3[C:24]([CH3:41])=[N:25][C:26]([CH:29]4[CH2:33][CH2:32][NH:31][CH2:30]4)=[CH:27][CH:28]=3)(=[O:17])=[O:16])=[CH:11][CH:10]=2)=[C:5]([CH3:42])[O:4][N:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 887MethanolHCID 5213051-Chloroethyl chloroformateHCID 117925766N-(6-(1-benzylpyrrolidin-3-yl)-2-methylpyridin-3-yl)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-N-isobutylbenzenesulfonamide

생성물 1

HCID 721944264-((3,5-dimethylisoxazol-4-yl)methoxy)-N-isobutyl-N-(2-methyl-6-(pyrrolidin-3-yl)pyridin-3-yl)benzenesulfonamide

시약·촉매·용매 1

HCID 6342
Acetonitrile
용매

실험 절차

To a solution of 4-{[(3,5-dimethyl-4-isoxazolyl)methyl]oxy}-N-{2-methyl-6-[1-(phenylmethyl)-3-pyrrolidinyl]-3-pyridinyl}-N-(2-methylpropyl)benzenesulfonamide (114 mg, 0.194 mmol) in acetonitrile (3 mL) was added 1-chloroethyl chloroformate (0.027 mL, 0.252 mmol) and the reaction mixture was heated at reflux under nitrogen for 2 hours. To this was added methanol (3 mL) and the reaction mixture was refluxed under nitrogen for 1 hour. The solvent was removed in vacuo. The sample was then purified by mass directed autoprep (formic acid buffered) to give the required product as formic acid salt (33 mg). LCMS (2 min, formic) Rt 0.86 min, m/z (ES+) 499 (M+H).

후처리

  1. temperaturethe reaction mixture was heated
  2. temperatureat reflux under nitrogen for 2 hours
  3. temperaturethe reaction mixture was refluxed under nitrogen for 1 hour
  4. customThe solvent was removed in vacuo
  5. customThe sample was then purified by mass

출처 및 근거

ORD 기록
ord-19e5a9105ac74cc2b7624f8eb97e5c62
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09242972B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트