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Ethylene Glycol → HCID 91095343、化合物

HRID 1093195
ノート
印刷プレビュー

反応式

HRID 1093195 の反応式
C12OC(CC1)CN(C1N=C(C3C=CC(N)=CC=3)N=C3N(C(COC)COC)N=CC=13)C2.ClC(Cl)(OC(=O)OC(Cl)(Cl)Cl)Cl.[CH2:44]([OH:47])[CH2:45][OH:46].[CH3:48][O:49][CH2:50][CH:51]([N:55]1[C:59]2=[N:60][C:61]([C:72]3[CH:77]=[CH:76][C:75]([N:78]=[C:79]=[O:80])=[CH:74][CH:73]=3)=[N:62][C:63]([N:64]3[CH2:70][CH:69]4[O:71][CH:66]([CH2:67][CH2:68]4)[CH2:65]3)=[C:58]2[CH:57]=[N:56]1)[CH2:52][O:53][CH3:54]>ClCCl.C(N(CC)CC)C>[OH:46][CH2:45][CH2:44][O:47][C:79](=[O:80])[NH:78][C:75]1[CH:74]=[CH:73][C:72]([C:61]2[N:60]=[C:59]3[N:55]([CH:51]([CH2:50][O:49][CH3:48])[CH2:52][O:53][CH3:54])[N:56]=[CH:57][C:58]3=[C:63]([N:64]3[CH2:65][CH:66]4[O:71][CH:69]([CH2:68][CH2:67]4)[CH2:70]3)[N:62]=2)=[CH:77][CH:76]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 174Ethylene GlycolHCID 94429TriphosgeneHCID 66589060HCID 66589060、化合物HCID 87063257HCID 87063257、化合物

生成物 1

HCID 91095343HCID 91095343、化合物収率 53%

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒2 回
HCID 8471Triethylamine溶媒

実験手順

A solution of 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1,3-dimethoxypropan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)aniline (65 mg, 0.15 mmol) in dichloromethane (1.5 mL) was treated with triethylamine (0.2 mL), followed by a solution of triphosgene (23 mg, 0.08 mmol) in dichloromethane (1 mL). After the passage of 10 minutes, the appropriate nucleophile—in the case, ethylene glycol (84 μL, 1.5 mmol)—was added to the 3-(1-(1,3-dimethoxypropan-2-yl)-6-(4-isocyanatophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane (“isocyanate”) mixture. After 3 hours, the reaction mixture was concentrated to dryness under reduced pressure. The residue was purified by reverse-phase high performance liquid chromatography using a Phenomenex Prodigy 21 mm×250 mm column, running a gradient elution of 5% acetonitrile/95% of 0.1% aqueous trifluoroacetic acid to 100% acetonitrile to provide 2-hydroxyethyl(4-{1-[2-methoxy-1-(methoxymethyl)ethyl]-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)carbamate (41 mg, 53%). MS (ES+): 513.2 (M+H)+

後処理

  1. concentrationthe reaction mixture was concentrated to dryness under reduced pressure
  2. customThe residue was purified by reverse-phase high performance liquid chromatography
  3. washa gradient elution of 5% acetonitrile/95% of 0.1% aqueous trifluoroacetic acid to 100% acetonitrile

出典と根拠

ORDレコード
ord-b6d46b7ba8dc48d5af3f578954409594
出典データセット
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08129371B2

反応ノート

読み込み中…

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