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

Hydrochloric Acid → Methyl (2S)-2-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(1H-imidazol-4-yl)propanoate

HRID 497555
노트
인쇄 미리보기

반응식

HRID 497555 반응식
[CH3:1][O:2][C:3](=[O:12])[C@H:4]([CH2:6][C:7]1[N:11]=[CH:10][NH:9][CH:8]=1)[NH2:5].C([O-])(=O)C.[Na+].O=[CH:19][CH2:20][NH:21][C:22](=[O:28])[O:23][C:24]([CH3:27])([CH3:26])[CH3:25].C([BH3-])#N.[Na+].Cl.C(=O)([O-])[O-].[Na+].[Na+]>CO>[C:24]([O:23][C:22]([NH:21][CH2:20][CH2:19][NH:5][C@@H:4]([CH2:6][C:7]1[N:11]=[CH:10][NH:9][CH:8]=1)[C:3]([O:2][CH3:1])=[O:12])=[O:28])([CH3:27])([CH3:26])[CH3:25]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 313Hydrochloric AcidHCID 10340Sodium CarbonateHCID 517045Sodium AcetateHCID 4247255tert-butyl N-(2-oxoethyl)carbamateHCID 5003444Sodium cyanoborohydrideHCID 178501495HCID 178501495, 화합물

생성물 1

HCID 178501399
Methyl (2S)-2-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(1H-imidazol-4-yl)propanoate
수율 79%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

L-Histidine methyl ester (7.93 g, 32.8 mmol) and sodium acetate (10.75 g, 131 mmol) were added to a stirred solution of tert-butyl N-(2-oxoethyl)carbamate (5.22 g, 32.8 mmol) in methanol (100 ml). 4 Å molecular sieves and sodium cyanoborohydride (4.12 g, 65.6 mmol) were added and the mixture was stirred at room temperature for 17 hours. Aqueous hydrochloric acid (2N, 4 ml) was added and the mixture was then basified with saturated aqueous sodium carbonate solution to pH=10. The mixture was filtered to remove solid which was washed with methanol. Methanol was removed by evaporation under reduced pressure and the residual aqueous solution was extracted with ethyl acetate (2×300 ml). The combined organic extracts were then dried (MgSO4), filtered, and concentrated under reduced pressure. The resultant residue was purified by column chromatography on silica gel, eluting with a solvent gradient of dichloromethane:methanol (96:4 to 92:8), to afford the title compound as a colorless oil, 8.07 g, 79% yield.

후처리

  1. filtrationThe mixture was filtered
  2. customto remove solid which
  3. washwas washed with methanol
  4. customMethanol was removed by evaporation under reduced pressure
  5. extractionthe residual aqueous solution was extracted with ethyl acetate (2×300 ml)
  6. dry with materialThe combined organic extracts were then dried (MgSO4)
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customThe resultant residue was purified by column chromatography on silica gel
  10. washeluting with a solvent gradient of dichloromethane:methanol (96:4 to 92:8)

출처 및 근거

ORD 기록
ord-d32c5c04ec1f4be7978cd3cf53678716
출처 데이터셋
uspto-grants-2005_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06949577B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트