(2S)-2-[[(2S)-2-(acetamido)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutyric acid -Drug Synthesis Database

【结构式】

【分子编号】47896

【品名】(2S)-2-[[(2S)-2-(acetamido)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutyric acid

【CA登记号】

【分子式】C₁₆H₂₂N₂O₅

【分子量】322.36116

【元素组成】C 59.62% H 6.88% N 8.69% O 24.82%

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：(XI)

The known N-Boc-hydroxyester (IX) was deprotected with trifluoroacetic acid to give (X). This was then coupled with the N-acetyl dipeptide (XI) to yield (XII), which was hydrolyzed by means of LiOH to provide carboxylic acid (XIII). The title compound was then obtained by HBTU-mediated coupling of acid (XIII) with the intermediate amine (VIII).

参考文献中间体

合成目标

【1】 Mak, C.C.; Le, V.-D.; Wong, C.-H.; Elder, J.H.; Lin, Y.-C.; Design, synthesis, and biological evaluation of HIV/FIV protease inhibitors incorporating a conformationally constrained macrocycle with a small P3' residue. Bioorg Med Chem Lett 2001, 11, 2, 219.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(IX)	47894	methyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutanoate	C₁₆H₂₃NO₅	详情	详情
(X)	47895	methyl (2R,3S)-3-amino-2-hydroxy-4-phenylbutanoate	C₁₁H₁₅NO₃	详情	详情
(XI)	47896	(2S)-2-[[(2S)-2-(acetamido)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutyric acid	C₁₆H₂₂N₂O₅	详情	详情
(XII)	47897	methyl (2R,3S)-3-[((2S)-2-[[(2S)-2-(acetamido)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl)amino]-2-hydroxy-4-phenylbutanoate	C₂₇H₃₅N₃O₇	详情	详情
(XIII)	47898	(2R,3S)-3-[((2S)-2-[[(2S)-2-(acetamido)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl)amino]-2-hydroxy-4-phenylbutyric acid	C₂₆H₃₃N₃O₇	详情	详情
(XIV)	47893	(8S,11S)-11-amino-8-isopropyl-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,10-dione	C₁₇H₂₅N₃O₃	详情	详情

Extended Information