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【结 构 式】

【分子编号】50903

【品名】methyl 2-[3-(2-pyridinyl)phenyl]acetate

【CA登记号】

【 分 子 式 】C14H13NO2

【 分 子 量 】227.26276

【元素组成】C 73.99% H 5.77% N 6.16% O 14.08%

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)

Palladium-catalyzed coupling of methyl (3-bromophenyl)acetate (I) with 2-pyridyl triflate (II) furnished the pyridylphenylacetate ester (III), which was further hydrolyzed with LiOH to the corresponding carboxylic acid (IV). Coupling of acid (IV) with (3S)-3N-Boc-1,3-diamino-2-butanol (V) using HBTU produced amide (VI). After acid cleavage of the Boc protecting group of (VI), the resulting amine (VII) was coupled with N-Boc-leucine (VIII), yielding adduct (IX). Subsequent acidic deprotection of (IX) provided the intermediate amine (X).

1 Bondinell, W.E.; Desjarlais, R.L.; Yamashita, D.S.; Veber, D.F. (GlaxoSmithKline Inc.); Protease inhibitors. WO 9959526 .
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) 50901 methyl 2-(3-bromophenyl)acetate 150529-73-0 C9H9BrO2 详情 详情
(II) 50902 2-Pyridyl trifluoromethanesulfonate; 2-Pyridyl triflate C6H4F3NO3S 详情 详情
(III) 50903 methyl 2-[3-(2-pyridinyl)phenyl]acetate C14H13NO2 详情 详情
(IV) 50904 2-[3-(2-pyridinyl)phenyl]acetic acid C13H11NO2 详情 详情
(V) 50905 tert-butyl (1S)-3-amino-2-hydroxy-1-methylpropylcarbamate C9H20N2O3 详情 详情
(VI) 50906 tert-butyl (1S)-2-hydroxy-1-methyl-3-([2-[3-(2-pyridinyl)phenyl]acetyl]amino)propylcarbamate C22H29N3O4 详情 详情
(VII) 50907 N-[(3S)-3-amino-2-hydroxybutyl]-2-[3-(2-pyridinyl)phenyl]acetamide C17H21N3O2 详情 详情
(VIII) 23663 (2S)-2-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid;N-Boc-L-leucine C11H21NO4 详情 详情
(IX) 50908 tert-butyl (1S)-1-([[(1S)-2-hydroxy-1-methyl-3-([2-[3-(2-pyridinyl)phenyl]acetyl]amino)propyl]amino]carbonyl)-3-methylbutylcarbamate C28H40N4O5 详情 详情
(X) 50909 (2S)-2-amino-N-[(1S)-2-hydroxy-1-methyl-3-([2-[3-(2-pyridinyl)phenyl]acetyl]amino)propyl]-4-methylpentanamide C23H32N4O3 详情 详情
Extended Information