1,1-dimethylethyl (3-{[imino(2-thiophenyl)methyl]amino}phenyl)methylcarbamate -Drug Synthesis Database

【结构式】

【分子编号】63369

【品名】1,1-dimethylethyl (3-{[imino(2-thiophenyl)methyl]amino}phenyl)methylcarbamate

【CA登记号】

【分子式】C₁₇H₂₁N₃O₂S

【分子量】331.43876

【元素组成】C 61.61% H 6.39% N 12.68% O 9.65% S 9.67%

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)

Reduction of N-Boc-3-nitrobenzylamine (I) by catalytic hydrogenation over Pd/C yields aniline (II). This is then condensed with S-methyl-2-thiophenethiocarboximide (III) to furnish amidine (IV). Subsequent acidic Boc group cleavage yields amine (V).

参考文献中间体

合成目标

【1】 Auvin, S.; Auget, M.; Navet, E.; Harnett, J.J.; Viossat, I.; Schulz, J.; Bigg, D.; Chabrier, P.-E.; Novel inhibitors of neuronal nitric oxide synthase with potent antioxidant properties. Bioorg Med Chem Lett 2003, 13, 2, 209.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	63368	1,1-dimethylethyl (3-nitrophenyl)methylcarbamate	C₁₂H₁₆N₂O₄	详情	详情
(II)	39660	tert-butyl 3-aminobenzylcarbamate	C₁₂H₁₈N₂O₂	详情	详情
(III)	34836	methyl 2-thiophenecarbimidothioate	C₆H₇NS₂	详情	详情
(IV)	63369	1,1-dimethylethyl (3-{[imino(2-thiophenyl)methyl]amino}phenyl)methylcarbamate	C₁₇H₂₁N₃O₂S	详情	详情
(V)	63370	N-[3-(aminomethyl)phenyl]-2-thiophenecarboximidamide	C₁₂H₁₃N₃S	详情	详情

Extended Information