methyl (2S)-2-isocyanato-4-methylpentanoate -Drug Synthesis Database

【结构式】

【分子编号】54421

【品名】methyl (2S)-2-isocyanato-4-methylpentanoate

【CA登记号】

【分子式】C₈H₁₃NO₃

【分子量】171.19616

【元素组成】C 56.13% H 7.65% N 8.18% O 28.04%

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)

The intermediate N-(pyridin-3-ylmethoxycarbonyl)-L-leucine (V) has been obtained as follows: L-Leucine methyl ester (I) was converted into the isocyanate (II) by conventional methods, and the resulting compound was condensed with 3-pyridylmethanol (III) to yield the N-acylated leucine methyl ester (IV). Finally, this compound was hydrolyzed with LiOH to afford the desired intermediate N-(pyridin-3-ylmethoxycarbonyl)-L-leucine (V).

参考文献中间体

合成目标

【1】 Ellman, J.A.; Lee, A.; Huang, L. ; Identification of potent and selective mechanism-based inhibitors of the cysteine protease cruzain using solid-phase parallel synthesis. J Med Chem 2002, 45, 3, 676.

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)	27709	methyl (2S)-2-amino-4-methylpentanoate		C₇H₁₅NO₂	详情	详情
(II)	54421	methyl (2S)-2-isocyanato-4-methylpentanoate		C₈H₁₃NO₃	详情	详情
(III)	15798	3-Pyridinemethanol; 3-pyridinylmethanol	100-55-0	C₆H₇NO	详情	详情
(IV)	54422	methyl (2S)-4-methyl-2-{[(3-pyridinylmethoxy)carbonyl]amino}pentanoate		C₁₄H₂₀N₂O₄	详情	详情
(V)	54423	(2S)-4-methyl-2-{[(3-pyridinylmethoxy)carbonyl]amino}pentanoic acid		C₁₃H₁₈N₂O₄	详情	详情

Extended Information