HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 906561Generated: October 30, 2026
1,4-Dioxane → n-[6-(3-Cyano-phenyl)-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2h-quinazolin-3-yl]-methanesulfonamide
https://huagongshe.com/reaction/906561
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1,4-Dioxane | HCID 31275 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Methanesulfonohydrazide | HCID 269268 | — |
| Reactant | 4-Amino-3'-cyano-6-trifluoromethyl-biphenyl-3-carboxylic acid methyl ester | HCID 11965618 | — |
| Product | n-[6-(3-Cyano-phenyl)-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2h-quinazolin-3-yl]-methanesulfonamide | HCID 11965619 | 84% |
Reaction Steps
A solution of 4-amino-3′-cyano-6-trifluoromethyl-biphenyl-3-carboxylic acid methyl ester (0.7 g, 2.19 mmol) in dioxane (15 mL) was treated with i-Pr2NEt (0.5 mL, 2.92 mmol) and (CCl3O)2CO (0.655 g, 2.19 mmol) and the mixture was stirred at 60° C. for 1 h under nitrogen. To this solution was added CH3SO2NHNH2 (0.24 g, 2.19 mmol) and stirring was continued for 1 h at 60° C. and for 16 h at r.t. The mixture was concentrated in vacuo, diluted with water and extracted three times with 25 mL each of EtOAc. The combined organic layers were washed twice with water and dried (Na2SO4), filtered and the solvent evaporated. The product was recrystallized from MeOH/DCM 3:1 to give N-[6-(3-cyano-phenyl)-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamide (0.78 g, 1.84 mmol, 84%), m.p. 291-292° C., ESI-MS: m/z 425 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08012988B2 |
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| Source dataset | uspto-grants-2011_09 |
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| ORD ID | ord-474398fff09d4532a952c409d951db8c |
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| Source note | uspto-grants-2011_09 |
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