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Hydrochloric Acid → HCID 53322397, 화합물

HRID 333292
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인쇄 미리보기

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HRID 333292 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([CH2:17][N:18]([CH3:20])[CH3:19])[CH2:14][CH2:13][C:12]([CH3:16])([OH:15])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8].[CH2:21](O)[CH3:22].Cl>CCOCC>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([CH2:17][N:18]([CH3:19])[CH3:20])[CH2:10][CH2:11][C:12]([CH3:16])([OH:15])[CH2:13][CH2:14]2)[CH:5]=[CH:6][C:7]=1[Cl:8].[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([CH2:17][NH:18][CH2:21][CH3:22])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 313Hydrochloric AcidHCID 702EthanolHCID 58954867HCID 58954867, 화합물

생성물 2

HCID 53322397HCID 53322397, 화합물HCID 58954867HCID 58954867, 화합물

시약·촉매·용매 1

HCID 3283Diethyl Ether용매

반응 조건

온도
50 °C

실험 절차

To a 3-L, three-neck flask equipped with a temperature probe, nitrogen line and overhead stirrer was charged with free base of 277 (crude from previous reaction, 0.328 mol) and ethanol (500 mL). The mixture was heated to 50° C. until a clear solution was obtained. The solution was cooled to room temperature and added to a solution of 2 M HCl in ether (200 mL) slowly. After 5 min, precipitation of HCl salt was observed. The slurry was stirred for 1 h at room temperature and filtered. The cake was washed with a mixture of MTBE/EtOH (2:1, 200 mL) and dried over night under high vacuum to yield 277 hydrochloride [80.8 g, 70%, 98.0% (AUC) by HPLC]. 1H NMR (D2O, 300 MHz): δ 7.65 (d, 1H), 7.55 (d, 1H), 7.5 (dd, 1H), 3.5 (s, 2H), 2.5 (s, 6H), 2.15 (dd, 2H), 1.85 (dt, 2H), 1.5 (dd, 2H), 1.3 (dt, 2H), 0.05 (s, 3H).

후처리

  1. customwas obtained
  2. temperatureThe solution was cooled to room temperature
  3. customprecipitation of HCl salt
  4. filtrationfiltered
  5. washThe cake was washed with a mixture of MTBE/EtOH (2:1, 200 mL)
  6. customdried over night under high vacuum

출처 및 근거

ORD 기록
ord-06f13ff9960c43159439756151e10185
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08877975B2

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