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

Sodium Bicarbonate → [1-(5-Formyl-isoxazol-3-yl)-3-methyl-butyl]-carbamic acid benzyl ester

HRID 277196
노트
인쇄 미리보기

반응식

HRID 277196 반응식
[CH2:1]([O:8][C:9](=[O:28])[NH:10][CH:11]([C:16]1[CH:20]=[C:19]([CH:21](OCC)[O:22]CC)[O:18][N:17]=1)[CH2:12][CH:13]([CH3:15])[CH3:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])(O)=O.[Na+]>OS(O)(=O)=O.CC(C)=O>[CH2:1]([O:8][C:9](=[O:28])[NH:10][CH:11]([C:16]1[CH:20]=[C:19]([CH:21]=[O:22])[O:18][N:17]=1)[CH2:12][CH:13]([CH3:15])[CH3:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 516892Sodium BicarbonateHCID 18682348[1-(5-Diethoxymethyl-isoxazol-3-yl)-3-methyl-butyl]-carbamic acid benzyl ester

생성물 1

HCID 18682349[1-(5-Formyl-isoxazol-3-yl)-3-methyl-butyl]-carbamic acid benzyl ester수율 53.6%

시약·촉매·용매 2

HCID 1118Sulfuric Acid촉매HCID 180Acetone용매

실험 절차

A stirred mixture of [1-(5-diethoxymethyl-isoxazol-3-yl)-3-methyl-butyl]-carbamic acid benzyl ester (920 mg, 2.4 mmol), acetone (50 ml) and H2SO4 (10 drops) was heated to reflux. After 35 min. the mixture was cooled to room temperature, neutralized with solid NaHCO3 and concentrated under reduced pressure. The resulting paste was taken up in EtOAc; washed with water and brine; dried over Na2SO4; filtered; and concentrated under reduced pressure to give a light yellow oil. Purification by Flash 40(small) chromatography eluting with 1:3 EtOAc/hexane gave 407 mg of the title compound as a light yellow oil. MS [M+1]+317.

후처리

  1. temperaturewas heated to reflux
  2. concentrationconcentrated under reduced pressure
  3. washwashed with water and brine
  4. dry with materialdried over Na2SO4
  5. filtrationfiltered
  6. concentrationand concentrated under reduced pressure
  7. customto give a light yellow oil
  8. customPurification by Flash 40(small) chromatography
  9. washeluting with 1:3 EtOAc/hexane

출처 및 근거

ORD 기록
ord-fc2da8e246fd4bbd98a6d3dc34352beb
출처 데이터셋
uspto-grants-2002_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06355662B1

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트