2-methylquinoline -Drug Synthesis Database

【结构式】

【分子编号】22518

【品名】2-methylquinoline

【CA登记号】

【分子式】C₁₀H₉N

【分子量】143.1882

【元素组成】C 83.88% H 6.34% N 9.78%

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)

[14C]-Saquinavir: The cyclization of [ring-14C]-aniline (I) with crotonic aldehyde (II) by means of HCl and acetic anhydride gives labeled 2-methylquinoline (III), which is brominated with Br2 in acetic acid yielding the tribromo derivative (IV). The hydrolysis of (IV) with hot sulfuric acid afforded labeled quinoline-2-carboxylic acid (V), which is finally condensed with Ro-32-0445 (VI) by means of hydroxybenzotriazole (HOBT) and dicyclohexylcarbodiimide (DCC) in THF.

参考文献中间体

合成目标

【1】 Wiltshire, H.R.; et al.; The synthesis of labelled forms of saquinavir. J Label Compd Radiopharm 1998, 41, 12, 1103.

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)	12294	Aniline; Phenylamine	62-53-3	C₆H₇N	详情	详情
(I)	22516	aniline; phenylamine		C₆H₇N	详情	详情
(II)	22517	(E)-2-butenal	4170-30-3	C₄H₆O	详情	详情
(III)	13161	Quinaldine; 2-Methylquinoline	91-63-4	C₁₀H₉N	详情	详情
(III)	22518	2-methylquinoline		C₁₀H₉N	详情	详情
(IV)	22519	2-(tribromomethyl)quinoline		C₁₀H₆Br₃N	详情	详情
(IV)	22526	2-(tribromomethyl)quinoline	613-53-6	C₁₀H₆Br₃N	详情	详情
(V)	14532	2-Quinolinecarboxylic acid; Quinaldic Acid	93-10-7	C₁₀H₇NO₂	详情	详情
(V)	22520	2-quinolinecarboxylic acid		C₁₀H₇NO₂	详情	详情
(VI)	22521	(2S)-N(1)-[(1S,2R)-3-[(3S,4aS,8aS)-3-[(tert-butylamino)carbonyl]octahydro-2(1H)-isoquinolinyl]-1-benzyl-2-hydroxypropyl]-2-aminobutanediamide		C₂₈H₄₅N₅O₄	详情	详情

Extended Information