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【结 构 式】

【分子编号】37141

【品名】N-hydroxybenzenecarboximidic acid

【CA登记号】

【 分 子 式 】C7H7NO2

【 分 子 量 】137.13812

【元素组成】C 61.31% H 5.14% N 10.21% O 23.33%

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:(IV)

The reaction of 2,4,5-trichlorophenol (I) with 1,3-dibromopropane (II) by means of refluxing 25% aqueous NaOH gives 3-(2,4,5-trichlorophenoxy)propyl bromide (III), which is condensed with benzhydroxamic acid (IV) by means of NaOH in refluxing methanol yielding 3-(2,4,5-trichlorophenoxy)propyl benzhydroxamate (V). The hydrolysis of (V) with HCl in refluxing methanol affords 3-(2,4,5-trichlorophenoxy)propyloxyamine (VI), which is then condensed with dicyandiamide (VII) in refluxing ethanol to give 3'-(2,4,5-trichlorophenoxy)propyloxydiguanide (VIII). Finally, this compound is cyclized with acetone (IX) by means of HCl.

1 Castañer, J.; Thorpe, P.J.; Blancafort, P.; Serradell, M.N.; BRL-6231. Drugs Fut 1982, 7, 10, 724.
2 Mamalis, P.; Outred, D.I. (SmithKline Beecham plc); Di-hydro triazine derivatives and processes for their manufacture. DE 1957769; ES 373657; FR 2023866; GB 1270831 .
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) 16126 2,4,5-trichlorophenol 95-95-4 C6H3Cl3O 详情 详情
(II) 12581 1,3-Dibromopropane 109-64-8 C3H6Br2 详情 详情
(III) 37140 1-(3-bromopropoxy)-2,4,5-trichlorobenzene; 3-bromopropyl 2,4,5-trichlorophenyl ether C9H8BrCl3O 详情 详情
(IV) 37141 N-hydroxybenzenecarboximidic acid C7H7NO2 详情 详情
(V) 37142 N-[3-(2,4,5-trichlorophenoxy)propoxy]benzenecarboximidic acid C16H14Cl3NO3 详情 详情
(VI) 37143 O-[3-(2,4,5-trichlorophenoxy)propyl]hydroxylamine; 1-[3-(aminooxy)propoxy]-2,4,5-trichlorobenzene C9H10Cl3NO2 详情 详情
(VII) 23611 N-cyanoguanidine 461-58-5 C2H4N4 详情 详情
(VIII) 37144 1-[3-([[[[amino(imino)methyl]amino](imino)methyl]amino]oxy)propoxy]-2,4,5-trichlorobenzene C11H14Cl3N5O2 详情 详情
(IX) 23199 2-Propanone; Acetone; beta-ketopropane; chevron acetone;propan-2-one; Dimethyl formaldehyde; Dimethyl ketone; dimethylketal; Ketone propane; Methyl ketone; Propanone; Pyroacetic acid; Pyroacetic ether 67-64-1 C3H6O 详情 详情
Extended Information