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【结 构 式】

【分子编号】32696

【品名】ethyl 2-(benzhydrylsulfanyl)acetate

【CA登记号】

【 分 子 式 】C17H18O2S

【 分 子 量 】286.39472

【元素组成】C 71.3% H 6.33% O 11.17% S 11.2%

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:(V)

This compound can be prepared in several different ways: 1) The reaction of benzhydryl bromide (I) with thiourea (II) in refluxing water gives diphenyl - methanethiol (III), which is condensed with chloroacetic acid (A) by means of NaOH in hot water yielding (benzhydrylthio)acetic acid (IV). The esterification of (IV) with ethanol and H2SO4 affords the corresponding ethyl ester (V), which is treated with hydroxylamine hydrochloride and KOH in methanol to give benzhydrylthioacetohydroxamic acid (VI). Finally, this compound is oxidized with H2O2 in acetic acid. 2) Compound (III) can also be obtained by reaction of benzhydrol (VII) with thiourea and aqueous 48% HBr at 100 C. 3) Compound (IV) can be oxidized with H2O2 in water to give benzhydrylsulfinylacetic acid (VIII), which is methylated with dimethyl sulfate and NaHCO3 in water to the corresponding methyl ester (IX). Finally, this compound is treated with hydroxylamine and NaOH in water

1 Lafon, L. (Laboratoires L. Lafon); New benzhydrysulphinyl derivatives. DE 2642511; FR 2326181; GB 1520812; JP 52046058; US 4066686 .
2 Mignonac, S.; Guy, A.; De Lamer, V. (Sanofi-Synthelabo); Preparation of polyamine(s), substd. on terminal nitrogen atoms. FR 2714052 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(A) 11847 2-Chloroacetic acid; Chloroacetic Acid 79-11-8 C2H3ClO2 详情 详情
(I) 12079 Bromodiphenylmethane; 1-[Bromo(phenyl)methyl]benzene; Benzhydrylbromide 776-74-9 C13H11Br 详情 详情
(II) 10180 Thiourea 62-56-6 CH4N2S 详情 详情
(III) 32695 diphenylmethanethiol; benzhydrylhydrosulfide C13H12S 详情 详情
(IV) 11848 2-(Benzhydrylsulfanyl)acetic acid C15H14O2S 详情 详情
(V) 32696 ethyl 2-(benzhydrylsulfanyl)acetate C17H18O2S 详情 详情
(VI) 32697 2-(benzhydrylsulfanyl)-N-hydroxyacetamide 63547-44-4 C15H15NO2S 详情 详情
(VII) 11845 Diphenylmethanol; Benzhydrol 91-01-0 C13H12O 详情 详情
(VIII) 11851 2-(Benzhydrylsulfinyl)acetic acid C15H14O3S 详情 详情
(IX) 11852 methyl 2-(benzhydrylsulfinyl)acetate C16H16O3S 详情 详情
Extended Information