HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 467914Generated: October 26, 2026
Adenine → 2-(6-Aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-5-methyl-3h-quinazolin-4-one
https://huagongshe.com/reaction/467914
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Adenine | HCID 190 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 2-Chloromethyl-3-(2-chlorophenyl)-5-methyl-3H-quinazolin-4-one | HCID 22316547 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 2-(6-Aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-5-methyl-3h-quinazolin-4-one | HCID 10295473 | 28.4% |
Reaction Steps
Prepared according to Procedure C using Intermediate 2g (250 mg, 0.783 mmol), adenine (116 mg, 0.862 mmol), K2CO3 (119 mg, 0.862 mmol), and DMF (4 mL). The crude product was recrystallized from EtOH to provide 93 mg of a pale yellow solid (28%), mp 190.7-190.9° C. 1H NMR (DMSO-d6) δ: 8.05 (s, 1H); 8.03 (s, 1H); 7.76-7.79 (m, 1H); 7.71-7.74 (m, 1H); 7.59-7.67 (m, 1H); 7.34 (d, J=7.4 Hz, 1H); 7.28 (d, J=8.2 Hz, 1H); 7.24 (br s, 2H); 5.07 (d, J=17 Hz, 1H); 4.92 (d, J=17 Hz, 1H); 2.73 (s, 3H). 13C NMR (DMSO-d6) ppm: 161.1, 156.2, 152.8, 150.9, 150.1, 148.3, 141.9, 141.0, 134.6, 133.6, 132.2, 131.9, 131.3, 130.8, 130.3, 129.3, 125.9, 119.1, 118.4, 44.8, 22.8. MS (ES): m/z 418.1 (M+). Anal. calcd. for C21H16ClN7O.H2O: C, 57.87; H, 4.16; Cl, 8.13; N, 22.49. Found: C, 57.78; H, 3.99; Cl, 8.38; N, 22.32.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08623881B2 |
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| Source dataset | uspto-grants-2014_01 |
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| ORD ID | ord-87c0eced35cd41fcbe3e6fc4e1dd81dc |
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| Source note | uspto-grants-2014_01 |
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