참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Chlorosuccinimide | HCID 31398 | — |
| 반응물 | 3-Butyl-1-ethyl-3,7-dihydro-1H-purine-2,6-dione | HCID 19003745 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 생성물 | 3-Butyl-8-chloro-1-ethyl-3,7-dihydro-1H-purine-2,6-dione | HCID 59299543 | — |
반응 단계
3-Butyl-1-ethyl-3,7-dihydro-1H-purine-2,6-dione (100 mg, 0.42 mmol) and NCS (56 mg, 0.42 mmol) were suspended in MeCN (5 mL) and heated at 120° C. under microwave irradiation. The reaction mixture was concentrated under reduced pressure and the title compound isolated using HPLC. [HPLC conditions used for the purification: 23 minute run time. Solvents: 0.1% TFA in MeCN and 0.1% TFA in water. MeCN increased from 5% to 95% linearly over 15 minutes. Held at 95% for 2 min. Then decreased to 5% linearly over 1 min., equilibrated at 5% for 5 minutes before next injection.]; 1H NMR (400 MHz; CDCl3) δ: 0.97 (3H, t), 1.31 (3H, t), 1.38-1.45 (2H, m), 1.72-1.80 (2H, m), 4.09-4.20 (4H, m), 13.40 (1H, br.s); m/z 271 [MH+].
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08268839B2 |
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| 출처 데이터셋 | uspto-grants-2012_09 |
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| ORD ID | ord-2f6cb430ddc1437faa795f9ca9917375 |
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| 출처 메모 | uspto-grants-2012_09 |
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