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Diisopropylethylamine → (S)-3-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-yl]-2-[2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonylamino]-propionic acid methyl ester

HRID 76801
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HRID 76801 반응식
[CH3:1][O:2][C:3](=[O:18])[C@@H:4]([NH2:17])[CH2:5][C:6]1[CH:10]=[C:9]([C:11]2[S:12][C:13]([Cl:16])=[CH:14][CH:15]=2)[O:8][N:7]=1.CCN(C(C)C)C(C)C.[CH2:28]([C:30]1[C:35]([N:36]2[CH2:41][CH2:40][O:39][CH2:38][C:37]2=[O:42])=[CH:34][CH:33]=[CH:32][C:31]=1[S:43](Cl)(=[O:45])=[O:44])[CH3:29]>C(Cl)Cl>[CH3:1][O:2][C:3](=[O:18])[C@@H:4]([NH:17][S:43]([C:31]1[CH:32]=[CH:33][CH:34]=[C:35]([N:36]2[CH2:41][CH2:40][O:39][CH2:38][C:37]2=[O:42])[C:30]=1[CH2:28][CH3:29])(=[O:45])=[O:44])[CH2:5][C:6]1[CH:10]=[C:9]([C:11]2[S:12][C:13]([Cl:16])=[CH:14][CH:15]=2)[O:8][N:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 81531Diisopropylethylamine2회HCID 66911101(S)-2-Amino-3-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-yl]-propionic acid methyl esterHCID 727928892-Ethyl-3-(3-oxomorpholino)benzene-1-sulfonyl chloride2회

생성물 1

HCID 66911103(S)-3-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-yl]-2-[2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonylamino]-propionic acid methyl ester

시약·촉매·용매 1

HCID 6344
Dichloromethane
용매
2회

실험 절차

Intermediate 2 (860 mg, 3 mmol) was dissolved in 15 ml DCM and DIPEA (2.041 ml, 12 mmol). 2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonyl chloride, Intermediate 6 (911 mg, 3 mmol) in 10 ml DCM was slowly added and the reaction was stirred at RT overnight. After that 300 μl DIPEA were added and the reaction mixture was heated to 40° C. for 30 min. Then the solution was evaporated to dryness, dissolved in ethyl acetate, washed with 1 N HCl, sat. aq. NaHCO3 and brine. The combined organic layers were dried with MgSO4, filtered and evaporated to dryness. The crude product (1.5 g) was used without further purification in the next step.

후처리

  1. temperaturethe reaction mixture was heated to 40° C. for 30 min
  2. customThen the solution was evaporated to dryness
  3. dissolutiondissolved in ethyl acetate
  4. washwashed with 1 N HCl, sat. aq. NaHCO3 and brine
  5. dry with materialThe combined organic layers were dried with MgSO4
  6. filtrationfiltered
  7. customevaporated to dryness
  8. customThe crude product (1.5 g) was used without further purification in the next step

출처 및 근거

ORD 기록
ord-b2961fd5834e4dc08ce0b2adb3a03e54
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08835653B2

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