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Ammonium Chloride → 2-(3-Ethynyl-quinolin-6-yloxy)-N-(2-hydroxy-1-methoxymethyl-1-methyl-ethyl)-2-methylsulfanyl-acetamide

HRID 1962860
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HRID 1962860 반응식
[C:1]([C:3]1[CH:4]=[N:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([O:13][CH:14]([S:18][CH3:19])[C:15]([OH:17])=O)=[CH:8][CH:7]=2)#[CH:2].ON1C2N=CC=CC=2N=N1.F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.[NH2:52][C:53]([CH3:59])([CH2:56][O:57][CH3:58])[CH2:54][OH:55].[NH4+].[Cl-]>CC#N.C(OCC)(=O)C.C(N(CC)CC)C>[C:1]([C:3]1[CH:4]=[N:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([O:13][CH:14]([S:18][CH3:19])[C:15]([NH:52][C:53]([CH2:56][O:57][CH3:58])([CH3:59])[CH2:54][OH:55])=[O:17])=[CH:8][CH:7]=2)#[CH:2]
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참가 물질

9

반응물 5

HCID 25517Ammonium ChlorideHCID 181649HOAtHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 133754152-Amino-3-methoxy-2-methylpropan-1-olHCID 59565474(3-Ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid

생성물 1

HCID 59565371
2-(3-Ethynyl-quinolin-6-yloxy)-N-(2-hydroxy-1-methoxymethyl-1-methyl-ethyl)-2-methylsulfanyl-acetamide
수율 35.4%

시약·촉매·용매 3

HCID 6342Acetonitrile용매HCID 8471Triethylamine용매HCID 8857Ethyl Acetate용매

실험 절차

(3-Ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid (413 mg), 1-hydroxy-7-azabenzotriazole (HOAT) (267 mg), O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate (TBTU) (630 mg), 2-amino-3-methoxy-2-methyl-propan-1-ol (180 mg) and triethylamine (0.75 ml) in dry CH3CN (20 ml) were stirred at ambient temperature overnight. The reaction mixture was diluted with ethyl acetate and poured on sat. aq. NH4Cl. The water phase was extracted 3 times with ethyl acetate. The combined organic layers were washed with brine, dried over sodium sulfate, filtered and evaporated. The residue was purified by column chromatography (cyclohexane/ethyl acetate 1:1) to give as a yellowish oil 2-(3-Ethynyl-quinolin-6-yloxy)-N-(2-hydroxy-1-methoxymethyl-1-methyl-ethyl)-2-methylsulfanyl-acetamide (200 mg) as a mixture of diastereoisomers.

후처리

  1. extractionThe water phase was extracted 3 times with ethyl acetate
  2. washThe combined organic layers were washed with brine
  3. dry with materialdried over sodium sulfate
  4. filtrationfiltered
  5. customevaporated
  6. customThe residue was purified by column chromatography (cyclohexane/ethyl acetate 1:1)

출처 및 근거

ORD 기록
ord-ac84d842a74f41018a2c4cb78c4fc1ed
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08415272B2

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