Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 241925생성일: 2026년 10월 23일
Potassium Carbonate → 5-Chloro-3-(2-fluorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
https://huagongshe.com/ko/reaction/241925
참여 물질
| 역할 | 이름 | HCID | 투입량 |
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| 반응물 | Potassium Carbonate | HCID 11430 | — |
| 반응물 | 5-Chloro-2-chloromethyl-3-(2-fluorophenyl)-3H-quinazolin-4-one | HCID 22316557 | — |
| 반응물 | HCID 178527204 | HCID 178527204 | — |
| 용매 | Dimethylformamide | HCID 6228 | — |
| 생성물 | 5-Chloro-3-(2-fluorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one | HCID 178515131 | 84.1% |
반응 단계
Prepared according to Procedure C using Intermediate 2k (210 mg, 0.650 mmol), 6-mercaptopurine monohydrate (122 mg, 0.715 mmol), K2CO3 (99 mg, 0.715 mmol), and DMF (4 mL). The crude product was recrystallized from EtOH to provide 240 mg of an off-white solid (84%), mp 244.0° C. 1H NMR (DMSO-d6) δ: 13.56 (br s, 1H); 8.50 (s, 1H); 8.45 (s, 1H); 7.81 (t, J=8.0 Hz, 1H); 7.74 (t, J=7.7 Hz, 1H); 7.67 (d, J=8.1 Hz, 1H); 7.62 (d, J=7.7 Hz, 1H); 7.46-7.55 (m, 1H); 7.29-7.42 (m, 2H); 4.47-4.59 (m, 2H). 13C NMR (DMSO-d6) ppm: 158.4, 157.3 (d, J=249 Hz), 156.4, 153.8, 151.0, 149.1, 143.2, 135.0, 132.9, 131.8 (d, J=8.0 Hz), 130.8, 129.9, 126.7, 125.3 (d, J=3.5 Hz), 123.6 (d, J=13 Hz), 117.0, 116.2 (d, J=19 Hz), 31.7. MS (ES): m/z 439.0 (M+). Anal. calcd. for C20H12ClFN6OS: C, 54.74; H, 2.76; Cl, 8.08; N, 19.15; S, 7.31. Found: C, 54.42; H, 2.88; Cl, 8.08; N, 18.87; S, 7.08.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08653077B2 |
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| 출처 데이터셋 | uspto-grants-2014_02 |
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| ORD ID | ord-1ea62601282a44d0a36a8dff7ed3d8d1 |
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| 출처 메모 | uspto-grants-2014_02 |
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