1-nitrobenzene -Drug Synthesis Database

【结构式】

【分子编号】22537

【品名】1-nitrobenzene

【CA登记号】

【分子式】C₆H₅NO₂

【分子量】123.11124

【元素组成】C 58.54% H 4.09% N 11.38% O 25.99%

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：(XXII)

5)[15N,13C,2H]-Saquinavir: The nitration of [13C6]-benzene (XXI) with [15N]-nitric acid gives the corresponding nitrobenzene (XXII), which is reduced with Sn/HCl to the aniline (XXIII). The cyclization of (XXIII) with crotonic aldehyde (II) by means of ClD/D2O and acetic ahydride yields the tetradeuterated quinoline (XXIV), which is brominated as before givig the tribromo derivative (XXV). The hydrolysis of (XXV) with sulfuric acid as usual affords the [15N,13C6,2H3]-labeled quinoline-2-carboxylic acid (XXVI), which is finally condensed with Ro-32-0445 (VI) by means of HOBT and CDI as indicated.

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
(II)	22517	(E)-2-butenal	4170-30-3	C₄H₆O	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
(XI)	22526	2-(tribromomethyl)quinoline	613-53-6	C₁₀H₆Br₃N	详情	详情
(XI)	45225	2-(tribromomethyl)quinoline		C₁₀H₆Br₃N	详情	详情
(XII)	14532	2-Quinolinecarboxylic acid; Quinaldic Acid	93-10-7	C₁₀H₇NO₂	详情	详情
(XII)	45226	2-quinolinecarboxylic acid		C₁₀H₇NO₂	详情	详情
(XXI)	13364	Benzene	71-43-2	C₆H₆	详情	详情
(XXI)	22536	benzene		C₆H₆	详情	详情
(XXII)	22523	1-nitrobenzene	28250-14-8	C₆H₅NO₂	详情	详情
(XXII)	22537	1-nitrobenzene		C₆H₅NO₂	详情	详情
(XXIII)	12294	Aniline; Phenylamine	62-53-3	C₆H₇N	详情	详情
(XXIII)	22538	phenylamine; aniline		C₆H₇N	详情	详情
(XXIV)	13161	Quinaldine; 2-Methylquinoline	91-63-4	C₁₀H₉N	详情	详情
(XXIV)	45224	2-methylquinoline		C₁₀H₉N	详情	详情

Extended Information