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【结 构 式】

【分子编号】10195

【品名】N-(4-Chlorophenyl)acetamide

【CA登记号】539-03-7

【 分 子 式 】C8H8ClNO

【 分 子 量 】169.61036

【元素组成】C 56.65% H 4.75% Cl 20.9% N 8.26% O 9.43%

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:(II)

A synthesis for [benzene-U-14C]-tiludronate has been described: The chlorination of [U-14C]-acetanilide (I) with tetrabutylammonium iodotetrachloride gives the corresponding 4-chloro derivative (II) (along with some of the 2-chloro isomer). The hydrolysis of (II) with concentrated HCl at 60 C yields the chloroaniline (III), which is converted to the corresponding diazonium salt (IV) with NaNO2 and HCl. The reaction of (IV) with ferric thiocyanate affords the labeled 4-chlorophenylthiocyanate (V), which is condensed with the lithium salt of methylenebis(phosphonic acid)tetraisopropyl ester (VI) in THF to yield 4-chlorophenylsulfanylmethylenebis(phosphonic acid)tetraisopropyl ester (VII). Finally, this compound is hydrolyzed with concentrated HCl or aqueous NaOH.

1 Ellames, G.J.; Burgos, A.; Synthesis of disodium [benzene-U-C-14]-(4-chlorophenylthio)methylene diphosphonate, [benzene-U-C-14]-tiludronate. J Label Compd Radiopharm 1995, 36, 11, 1071.
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) 10194 N-Phenylacetamide; Acetanilide 103-84-4 C8H9NO 详情 详情
(I) 44610   C8H9NO 详情 详情
(II) 10195 N-(4-Chlorophenyl)acetamide 539-03-7 C8H8ClNO 详情 详情
(II) 44611   C8H8ClNO 详情 详情
(III) 10196 4-Chlorobenzenaminium chloride C6H7Cl2N 详情 详情
(III) 44612   C6H7Cl2N 详情 详情
(IV) 10197 4-Chlorobenzenediazonium chloride C6H4Cl2N2 详情 详情
(IV) 44613   C6H7Cl2N 详情 详情
(V) 10198 4-Chlorophenyl thiocyanate 3226-37-7 C7H4ClNS 详情 详情
(V) 44614   C7H4ClNS 详情 详情
(VI) 10199 [Bis(diisopropoxyphosphoryl)methyl]lithium C13H29LiO6P2 详情 详情
(VII) 10200 Diisopropyl [(4-chlorophenyl)sulfanyl](diisopropoxyphosphoryl)methylphosphonate C19H33ClO6P2S 详情 详情
(VII) 44615   C19H33ClO6P2S 详情 详情
Extended Information