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【结 构 式】

【分子编号】28849

【品名】4-carbamoyl-5-diazonium pyrazol-3-ide

【CA登记号】

【 分 子 式 】C4H3N5O

【 分 子 量 】137.10092

【元素组成】C 35.04% H 2.21% N 51.08% O 11.67%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(I)

The pyrazolo[5,1-d]-1,2,3,5-tetrazine ring is synthesized according to the general method of Ege and Gilbert by the condensation of 3-diazopyrazole-4-carboxamide (I) with 2-chloroethyl isocyanate (II) in ethyl acetate at room temperature, followed by heating the reaction mixture at 50-60 C. The product may be purified through a silica gel column using ethyl acetate as the eluent. In contrast to the preparation of mitozolomide, the entire operation, including the preparation of the starting 3-diazo derivative, can be conducted under ordinary laboratory illumination. The dry product is stable under light even after 6 months.

1 Zolopa, A.R.; Whitcomb, J.M.; Hughes, M.D.; Katzenstein, D.A.; Winters, M.S.; Shafer, R.W.; Bates, M.; Shulman, N.S.; Hellmann, N.S.; J Pharm Sci 1968, 57, 2, 1044-1045.
2 Roberts, M.S.; Smith, K.J.; Tetrahedron Lett 1979, 113, 4, 4235-4256.
3 Cheng, C.C. (Pfizer Inc.); 3-(Haloethyl)-4-oxopyrazolo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide compounds. JP 60011489; US 4504475 .
4 Zee-Cheng, R.K.-Y.; Cheng, C.C.; Pyraoncozine. Drugs Fut 1986, 11, 2, 121.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 28849 4-carbamoyl-5-diazonium pyrazol-3-ide C4H3N5O 详情 详情
(II) 11237 1-Chloro-2-isocyanatoethane; 2-Chloroethyl isocyanate 1943-83-5 C3H4ClNO 详情 详情
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