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

Water → 3-Propyl-1,2-benzisoxazole-5-carboxylic acid

HRID 349041
노트
인쇄 미리보기

반응식

HRID 349041 반응식
[CH2:1]([C:4]1[C:8]2[CH:9]=[C:10]([C:13]([O:15]C)=[O:14])[CH:11]=[CH:12][C:7]=2[O:6][N:5]=1)[CH2:2][CH3:3].O1CCCC1.O.[OH-].[Li+]>CO>[CH2:1]([C:4]1[C:8]2[CH:9]=[C:10]([C:13]([OH:15])=[O:14])[CH:11]=[CH:12][C:7]=2[O:6][N:5]=1)[CH2:2][CH3:3]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 3939Lithium HydroxideHCID 8028TetrahydrofuranHCID 21086192Methyl 3-propyl-1,2-benzisoxazole-5-carboxylate

생성물 1

HCID 210858433-Propyl-1,2-benzisoxazole-5-carboxylic acid수율 88.9%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a solution of methyl 3-propyl-1,2-benzisoxazole-5-carboxylate (90 mg, 0.4 mmol) in a 2:1:1 mixture of tetrahydrofuran, water, and methanol (4 mL) was added lithium hydroxide (50 mg, 1.2 mmol) and the resulting reaction mixture stirred at room temperature for 2.5 h. The reaction mixture was concentrated under reduced pressure, and partitioned between water and ethyl ether. The aqueous layer was washed twice with ether and acidified to pH 1 with 6 M hydrochloric acid. The resulting aqueous layer was extracted with ethyl acetate, dried (sodium sulfate), and concentrated under reduced pressure to afford 3-propyl-1,2-benzisoxazole-5-carboxylic acid (73 mg): 1H NMR (300 MHz, CD3OD): δ 8.28–8.27 (m, 1H), 8.09–8.06 (m, 1H), 7.64–7.61 (m, 1H), 2.99–2.94 (m, 2H), 1.96–1.86 (m, 2H), 1.08–1.02 (m, 3H).

후처리

  1. customthe resulting reaction mixture
  2. concentrationThe reaction mixture was concentrated under reduced pressure
  3. custompartitioned between water and ethyl ether
  4. washThe aqueous layer was washed twice with ether
  5. extractionThe resulting aqueous layer was extracted with ethyl acetate
  6. dry with materialdried (sodium sulfate)
  7. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-00674025b78b4c62ac38982a58dc71bf
출처 데이터셋
uspto-grants-2007_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07176242B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트