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Benzoyl chloride → N-(1-Benzoyl-8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-benzenesulfonamide

HRID 1643898
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HRID 1643898 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([C:22]#[N:23])[CH:5]=[C:6]2[C:11]=1[NH:10][CH2:9][CH:8]([NH:12][S:13]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)(=[O:15])=[O:14])[CH2:7]2.[C:24](Cl)(=[O:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>N1C=CC=CC=1.C(Cl)Cl>[C:24]([N:10]1[C:11]2[C:6](=[CH:5][C:4]([C:22]#[N:23])=[CH:3][C:2]=2[Cl:1])[CH2:7][CH:8]([NH:12][S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)(=[O:15])=[O:14])[CH2:9]1)(=[O:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1
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참가 물질

5

반응물 2

HCID 7412Benzoyl chlorideHCID 66757150N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-benzene-sulfonamide

생성물 1

HCID 66757534N-(1-Benzoyl-8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-benzenesulfonamide수율 28.1%

시약·촉매·용매 2

HCID 1049Pyridine용매HCID 6344Dichloromethane용매

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온도
50 °C

실험 절차

To a solution of compound 163A (164 mg, 0.472 mmol) in pyridine (1 mL) and CH2Cl2 (1 mL) at RT was added benzoyl chloride (82 μL, 0.71 mmol), and the mixture was then stirred at 50° C. for 16 h. After cooling to RT, the reaction was concentrated in vacuo and the resultant residue was taken into MeOH (4 mL), and Et3N (1 mL) added. The reaction was stirred at 70° C. for 1 h. After cooling to RT, the reaction was concentrated. The residue was diluted with 10% aqueous citric acid, then extracted with EtOAc (3×15 mL). The combined EtOAc extracts were concentrated. The resulting residue was purified using preparative HPLC (YMC S5 ODS 20×100 mm) eluting with MeOH (50-80%) in H2O for 8 min, and then 80% MeOH in H2O for 7 min to give the title compound (60 mg, 28%) as a white solid. HPLC: 99% at 6.2 min (retention time) (Conditions: Zorbax SB C18 (4.6×75 mm); Eluted with 0% to 100% B, 8 min gradient. (A=90% H2O−10% MeOH−0.1% H3PO4 and B=10% H2O−90% MeOH−0.1% H3PO4); Flow rate at 2.5 mL/min. UV detection at 220 nm). MS (ES): m/z 452 [M+H]+.

후처리

  1. temperatureAfter cooling to RT
  2. concentrationthe reaction was concentrated in vacuo
  3. additionadded
  4. stirringThe reaction was stirred at 70° C. for 1 h
  5. temperatureAfter cooling to RT
  6. concentrationthe reaction was concentrated
  7. additionThe residue was diluted with 10% aqueous citric acid
  8. extractionextracted with EtOAc (3×15 mL)
  9. concentrationThe combined EtOAc extracts were concentrated
  10. customThe resulting residue was purified
  11. washeluting with MeOH (50-80%) in H2O for 8 min

출처 및 근거

ORD 기록
ord-f67b402873744d0786c393d7fa02b6e3
출처 데이터셋
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08119808B2

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