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Isopropyl isocyanate → HCID 46207321, 화합물

HRID 475447
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HRID 475447 반응식
[CH:1]1([C@H:7]([NH:12][C:13]([C:15]2[O:16][C:17]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][NH2:27])[CH:21]=3)=[CH:18][CH:19]=2)=[O:14])[C:8](=[O:11])[NH:9][CH3:10])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[N:28]([CH:31]([CH3:33])[CH3:32])=[C:29]=[O:30]>CN(C=O)C>[CH:1]1([C@H:7]([NH:12][C:13]([C:15]2[O:16][C:17]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][NH:27][C:29](=[O:30])[NH:28][CH:31]([CH3:33])[CH3:32])[CH:21]=3)=[CH:18][CH:19]=2)=[O:14])[C:8]([NH:9][CH3:10])=[O:11])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 61277Isopropyl isocyanateHCID 58505441HCID 58505441, 화합물

생성물 1

HCID 46207321HCID 46207321, 화합물

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

To a solution of 5-(3-aminomethyl-phenyl)-furan-2-carboxylic acid ((S)-cyclohexyl-methylcarbamoyl-methyl)-amide (20 mg, 0.05 mmol) in DMF (0.5 mL) is added 2-isocyanato-propane (5.8 μL, 0.06 mmol). After 2 h stirring at room temperature, the mixture evaporated in vacuo and purified on reverse phase HPLC. The product is obtained as a pale yellow solid, 16 mg, 63%, LC/MS ESI m/z (M+H)+=455.5.

후처리

  • customthe mixture evaporated in vacuo
  • custompurified on reverse phase HPLC
  • customThe product is obtained as a pale yellow solid, 16 mg, 63%, LC/MS ESI m/z (M+H)+=455.5
  • 출처 및 근거

    ORD 기록
    ord-b61f6e3c3def45d9b4f76d5a43b8fd9f
    출처 데이터셋
    uspto-grants-2014_01
    DOI
    10.6084/m9.figshare.5104873.v1
    특허 번호
    US08637550B2

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