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

Sodium Bicarbonate → O-Benzoylhydroxylamine

HRID 1180365
노트
인쇄 미리보기

반응식

HRID 1180365 반응식
Cl.[C:2]([O:10][NH2:11])(=[O:9])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C(=O)(O)[O-].[Na+]>O>[C:2]([O:10][NH2:11])(=[O:9])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 516892Sodium BicarbonateHCID 12246307O-Benzoylhydroxylamine hydrochloride

생성물 1

HCID 191324O-Benzoylhydroxylamine수율 73%

시약·촉매·용매 1

HCID 962Water용매

실험 절차

To a solution of O-Benzoylhydroxylamine hydrochloride (85 mg, 0.49 mmol, prepared as described in the procedure of Carpino et al., 1959) in water (5 ml) was added at room temperature a 1 M solution of sodium bicarbonate until the effervescence ended. The organic material was extracted three times with CH2Cl2 (10 ml per extraction). The combined organic layers were dried over Na2SO4 and concentrated under reduced pressure to give O-Benzoylhydroxylamine (49 mg, 73%). In a second flask Z-Ala-Ala-Asn-OH (19) (130 mg, 0.318 mmol) was dissolved in a mixture of dry THF (5 ml) and dry DMF (3 ml). To this stirred solution were added isobutyl chloroformate (41 μl, 0.318 mmol) and NMM (35 μl, 0.318 mmol) at −15° C. After stirring for 15 minutes O-Benzoylhydroxylamine in dry THF (2 ml) was added and the mixture was stirred 14 h, during which time it was allowed to warm to room temperature. The solvent was evaporated in vacuo and the obtained residue was washed with cold KHSO4 (5% in water, 5 ml). The precipitate was dissolved in ethyl acetate (10 ml), washed with water (3×5 ml) and dried over Na2SO4. After filtration the solvent was evaporated under reduced pressure. The crude compound was purified by preparative HPLC to give the product as an oil (77 mg, 46%).—TLC (MeOH/CHCl3, 1:9): Rf=0.31.—1H NMR (500 MHz, DMSO-d6): δ=1.19 (d, 3 H, J=6.9 Hz, CH3), 1.21 (d, 3 H, J=7.0 Hz, CH3), 2.78-2.96 (m, 2 H, CHCH2), 4.04-4.08 (m, 1 H, CH), 4.25-4.34 (m, 1 H, CH), 4.48-4.55 (m, 1 H, CH), 4.97-5.04 (m, 2 H, CH2O), 7.26-7.42 (m, 10 H, aryl-H), 7.93 (d, 2 H, J=8.2 Hz, NH).—MS (EI) m/z (%): 528 [M+H+], 550 [M+Na+], 566 [M+K+].

후처리

  1. extractionThe organic material was extracted three times with CH2Cl2 (10 ml per extraction)
  2. dry with materialThe combined organic layers were dried over Na2SO4
  3. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-95c777c0927d4e578ccfd347b1836ba7
출처 데이터셋
uspto-grants-2007_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07279550B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트