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Methanesulfonyl chloride → 3-(4-[(3-Chloro-4-fluorophenyl)amino]carbonyl-1,2,5-oxadiazol-3-yl)propyl methanesulfonate

HRID 2097630
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HRID 2097630 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]([C:12]2[C:16]([CH2:17][CH2:18][CH2:19][OH:20])=[N:15][O:14][N:13]=2)=[O:11])[CH:5]=[CH:6][C:7]=1[F:8].[CH3:21][S:22](Cl)(=[O:24])=[O:23]>C(Cl)Cl>[CH3:21][S:22]([O:20][CH2:19][CH2:18][CH2:17][C:16]1[C:12]([C:10]([NH:9][C:4]2[CH:5]=[CH:6][C:7]([F:8])=[C:2]([Cl:1])[CH:3]=2)=[O:11])=[N:13][O:14][N:15]=1)(=[O:24])=[O:23]
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참가 물질

4

반응물 2

HCID 31297Methanesulfonyl chlorideHCID 58941800N-(3-chloro-4-fluorophenyl)-4-(3-hydroxypropyl)-1,2,5-oxadiazole-3-carboxamide

생성물 1

HCID 589417693-(4-[(3-Chloro-4-fluorophenyl)amino]carbonyl-1,2,5-oxadiazol-3-yl)propyl methanesulfonate수율 25.1%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

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온도
0 °C

실험 절차

N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxypropyl)-1,2,5-oxadiazole-3-carboxamide (60 mg, 0.20 mmol) was dissolved in anhydrous DCM (2 mL), followed by addition of TEA (57 μL, 0.41 mmol). The reaction was stirred and cooled to 0° C., and then methanesulfonyl chloride (29 μL, 0.37 mmol) was added dropwise. The reaction was quenched with water and diluted with DCM. The organic solution was separated, dried over Na2SO4, filtered, concentrated and purified by silica gel chromatography (25%-70% EtOAc/hexane) to give the desired product (19 mg). LCMS for C13H14ClFN3O5S(M+H)+: m/z=378.

후처리

  1. customThe reaction was quenched with water
  2. additiondiluted with DCM
  3. customThe organic solution was separated
  4. dry with materialdried over Na2SO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. custompurified by silica gel chromatography (25%-70% EtOAc/hexane)

출처 및 근거

ORD 기록
ord-80c41468acd8457c896c4d71d8112538
출처 데이터셋
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08450351B2

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