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Boron tribromide → US10023592, Example 80

HRID 518303
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HRID 518303 반응식
B(Br)(Br)Br.[CH2:5]([S:7]([C:10]1[CH:11]=[CH:12][C:13]([O:34]C)=[C:14]([C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([C:26]4[CH:27]=[N:28][N:29]([CH3:31])[CH:30]=4)[CH:24]=3)[C:19](=[O:32])[N:18]([CH3:33])[CH:17]=2)[CH:15]=1)(=[O:9])=[O:8])[CH3:6]>C(Cl)Cl>[CH2:5]([S:7]([C:10]1[CH:11]=[CH:12][C:13]([OH:34])=[C:14]([C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([C:26]4[CH:27]=[N:28][N:29]([CH3:31])[CH:30]=4)[CH:24]=3)[C:19](=[O:32])[N:18]([CH3:33])[CH:17]=2)[CH:15]=1)(=[O:8])=[O:9])[CH3:6]
참가 물질실험 절차후처리출처 및 근거반응 노트

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4

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HCID 25134Boron tribromideHCID 1180214764-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one

생성물 1

HCID 118021404US10023592, Example 80수율 36.1%

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

At −78° C., a 4 M solution of BBr3 (2.3 mL, 9.2 mmol) in CH2Cl2 was added to the title compound of Example 79 (200.0 mg, 0.458 mmol) in dry CH2Cl2 (8 mL). The mixture was refluxed for 18 h. Extractive work up with CH2Cl2 and purification by silica gel chromatography (DCM:MeOH=100:1 to 20:1) gave the title compound (70 mg, 36.1%) as a brown solid. 1H NMR (CDCl3, 400 MHz) δ 8.39 (d, J=8.4 Hz, 1H), 7.99 (s, 1H), 7.87 (dd, J1=8.8 Hz, J2=2.4 Hz, 1H), 7.80 (s, 1H), 7.79 (s, 1H), 7.76 (d, J=1.6 Hz, 1H), 7.39 (s, 1H), 7.35 (d, J=1.2 Hz, 1H), 7.18 (d, J=8.8 Hz, 1H), 3.91 (s, 3H), 3.67 (s, 3H), 3.25 (q, J=7.6 Hz, 2H), 1.27 (t, J=7.6 Hz, 3H). LCMS: 424.0 (M+H)+

후처리

  1. temperatureThe mixture was refluxed for 18 h
  2. customExtractive work up with CH2Cl2 and purification by silica gel chromatography (DCM:MeOH=100:1 to 20:1)

출처 및 근거

ORD 기록
ord-996251fe827145d284a981196817ca9c
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09115114B2

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