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Hydrochloric Acid → (S)-1-Cyclobutyl 3-(4-(2-methylpiperazine-1-carbonyl)phenyl)urea hydrochloride

HRID 1878379
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반응식

HRID 1878379 반응식
[CH:1]1([NH:5][C:6](=[O:30])[NH:7][C:8]2[CH:29]=[CH:28][C:11]([C:12]([N:14]3[CH2:19][CH2:18][N:17](C(OC(C)(C)C)=O)[CH2:16][CH:15]3[CH3:27])=[O:13])=[CH:10][CH:9]=2)[CH2:4][CH2:3][CH2:2]1.[ClH:31]>>[ClH:31].[CH:1]1([NH:5][C:6]([NH:7][C:8]2[CH:9]=[CH:10][C:11]([C:12]([N:14]3[CH2:19][CH2:18][NH:17][CH2:16][C@@H:15]3[CH3:27])=[O:13])=[CH:28][CH:29]=2)=[O:30])[CH2:2][CH2:3][CH2:4]1
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참가 물질

3

반응물 2

HCID 313Hydrochloric AcidHCID 70806790tert-Butyl 4-(4-(3-cyclobutylureido)benzoyl)-3-methylpiperazine-1-carboxylate

생성물 1

HCID 66878377(S)-1-Cyclobutyl 3-(4-(2-methylpiperazine-1-carbonyl)phenyl)urea hydrochloride

실험 절차

tert-Butyl 4-(4-(3-cyclobutylureido)benzoyl)-3-methylpiperazine-1-carboxylate (0.20 g, 0.48 mmol) was treated with an ethanolic solution of hydrochloric acid (2 mL, 14.5 wt % hydrochloric acid in ethanol). The resultant mixture was stirred at room temperature for 2 hours. The mixture was concentrated under vacuum, azeotroped with dichloromethane (×2) and dried under vacuum to afford the title compound (0.152 g) as a white foamy solid. MS (ESI) m/z 317.0 [M+H]+

후처리

  1. concentrationThe mixture was concentrated under vacuum
  2. custom
azeotroped with dichloromethane (×2)
  • customdried under vacuum
  • 출처 및 근거

    ORD 기록
    ord-c1e42594b00b40019a56b1d60571926d
    출처 데이터셋
    uspto-grants-2012_11
    DOI
    10.6084/m9.figshare.5104873.v1
    특허 번호
    US08314091B2

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