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【结 构 式】

【分子编号】52500

【品名】bis(2,2,2-trifluoroethyl) [(2-chloroethyl)oxy]methylphosphonate

【CA登记号】

【 分 子 式 】C7H10ClF6O4P

【 分 子 量 】338.5708812

【元素组成】C 24.83% H 2.98% Cl 10.47% F 33.67% O 18.9% P 9.15%

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:(III)

Phosphonate (III) was prepared by the Michaelis-Arbuzov reaction by heating a mixture of 2-chloroethyl chloromethyl ether (I) and tris(2,2,2-trifluoroethyl)phosphite (II) at 160 C. The chloroethoxy derivative (III) was then converted to the corresponding iodide (IV) by treatment with NaI under Finkelstein reaction conditions. Alkylation of 2-amino-6-chloropurine (V) with iodide (IV) in the presence of DBU furnished the phosphonyl purine (VI). The 6-chloro group of (VI) was finally displaced with p-methoxythiophenol (VII) in hot DMF, yielding the target thioether.

1 Ubasawa, M.; Kamiya, N.; Takashima, H.; Yuasa, S.; Ueda, N.; Sekiya, K. (Mitsubishi Chemical Corp.); Phosphonate nucleotide cpds.. EP 0785208; US 5840716 .
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) 36041 2-chloroethyl chloromethyl ether; 1-chloro-2-(chloromethoxy)ethane 1462-33-5 C3H6Cl2O 详情 详情
(II) 52499 Tris(2,2,2-trifluoroethyl)phosphite C6H6F9O3P 详情 详情
(III) 52500 bis(2,2,2-trifluoroethyl) [(2-chloroethyl)oxy]methylphosphonate C7H10ClF6O4P 详情 详情
(IV) 52501 bis(2,2,2-trifluoroethyl) [(2-iodoethyl)oxy]methylphosphonate C7H10F6IO4P 详情 详情
(V) 11644 6-Chloro-9H-purin-2-amine; 6-Chloro-9H-purin-2-ylamine; 2-Amino-6-chloropurine 10310-21-1 C5H4ClN5 详情 详情
(VI) 52502 bis(2,2,2-trifluoroethyl) {[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]oxy}methylphosphonate C12H13ClF6N5O4P 详情 详情
(VII) 25639 4-methoxyphenylhydrosulfide; 4-methoxybenzenethiol 34320-82-6 C7H8OS 详情 详情
Extended Information