1-(isothiocyanatomethyl)benzene; benzyl isothiocyanate -Drug Synthesis Database

【结构式】

【分子编号】53401

【品名】1-(isothiocyanatomethyl)benzene; benzyl isothiocyanate

【CA登记号】622-78-6

【分子式】C₈H₇NS

【分子量】149.21632

【元素组成】C 64.4% H 4.73% N 9.39% S 21.49%

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)

Condensation of alanine methyl ester (I) with benzyl isothiocyanate (II) in the presence of Et3N produced the thiohydantoin (III). This was further acetylated by means of acetic anhydride and DMAP to yield the title compound.

参考文献中间体

合成目标

【1】 Le Tiran, A.; et al.; Functionalized amino acid anticonvulsants: Synthesis and pharmacological evaluation of conformationally restricted analogues. Bioorg Med Chem 2001, 9, 10, 2693.

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)	25315	methyl 2-aminopropanoate; Alanine, methyl ester	7625-53-8	C₄H₉NO₂	详情	详情
(II)	53401	1-(isothiocyanatomethyl)benzene; benzyl isothiocyanate	622-78-6	C₈H₇NS	详情	详情
(III)	53402	3-benzyl-5-methyl-2-thioxo-4-imidazolidinone	n/a	C₁₁H₁₂N₂OS	详情	详情

Extended Information