tert-butyl (3S)-1-([1,1'-biphenyl]-4-ylmethyl)-2-oxoazepanylcarbamate -Drug Synthesis Database

【结构式】

【分子编号】44317

【品名】tert-butyl (3S)-1-([1,1'-biphenyl]-4-ylmethyl)-2-oxoazepanylcarbamate

【CA登记号】

【分子式】C₂₄H₃₀N₂O₃

【分子量】394.51388

【元素组成】C 73.07% H 7.66% N 7.1% O 12.17%

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：(III)

Alkylation of 2-(Boc-amino)caprolactam (I) with 4-(bromomethyl)biphenyl (II) in the presence of KOH and tetrabutylammonium iodide produced the N-(biphenylylmethyl) lactam (III). After Boc group cleavage with trifluoroacetic acid, the resulting amino lactam (IV) was coupled with the tyrosine derivative (V) using BOP to furnish the corresponding amide.

参考文献中间体

合成目标

【1】 Mandine, E.; Baholet, I.; Deprez, P.; et al.; SAR and rational design of Src SH2 binders around a heterocyclic scaffold identification of RU84687, a subnanomolar and Src SH2 selective binder. 16th Int Symp Med Chem (Sept 18 2000, Bologna) 2000, Abst PA-17.

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)	42810	L-(-)-N-alpha-Boc-amino-epsilon-caprolactam; tert-butyl (3S)-2-oxoazepanylcarbamate	76944-95-1	C₁₁H₂₀N₂O₃	详情	详情
(II)	31210	4-(bromomethyl)-1,1'-biphenyl	2567-29-5	C₁₃H₁₁Br	详情	详情
(III)	44317	tert-butyl (3S)-1-([1,1'-biphenyl]-4-ylmethyl)-2-oxoazepanylcarbamate		C₂₄H₃₀N₂O₃	详情	详情
(IV)	44318	(3S)-3-amino-1-([1,1'-biphenyl]-4-ylmethyl)-2-azepanone		C₁₉H₂₂N₂O	详情	详情
(V)	44319	(2S)-2-(acetamido)-3-[3-formyl-4-(phosphonooxy)phenyl]propionic acid		C₁₂H₁₄NO₈P	详情	详情

Extended Information