(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate -Drug Synthesis Database

【结构式】

【分子编号】66844

【品名】(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate

【CA登记号】　

【分子式】C₂₃H₂₆N₄O₉.2H₂SO₄

【分子量】602.576

【元素组成】C 45.85% H 5.02% N 9.30% O 34.52% S 5.32%

与该中间体有关的原料药合成路线共 2 条

合成路线1 合成路线2

合成路线1

该中间体在本合成路线中的序号：(VII)

参考文献中间体

合成目标

【1】 Krishnan L, Sum PE, Daigneault S, et aL. 2006. Process for the prepantion of tigecycline and methods of preparing 9-aminominocycline. W0 2006130500
【2】 Krishnan L, Sum PE, Daigneault S, et al. 2006. Preparation of tigecycline and 9-nitrominocycline. W0 2006130501

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IX)	66846	(4S,4aS,5aR,12aS)-9-amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide hydrochloride		C₂₃H₂₈N₄O₇.HCl	详情	详情
(I)	17895	2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine	75-64-9	C₄H₁₁N	详情	详情
(II)	17430	2-Bromoacetic acid tert-butyl ester; tert-butyl 2-bromoacetate; tert-Butyl bromoacetate	5292-43-3	C₆H₁₁BrO₂	详情	详情
(III)	66841	tert-butyl 2-(tert-butylamino)acetate		C₁₀H₂₁NO₂	详情	详情
(IV)	66842	2-(tert-butylamino)acetic acid hydrochloride		C₆H₁₃NO₂.HCl	详情	详情
(V)	66843	2-(tert-butylamino)acetyl chloride hydrochloride		C₆H₁₂ClNO.HCl	详情	详情
(VI)	65813	Minocycline hydrochloride; [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride	13614-98-7	C₂₃H₂₇N₃O₇.HCl	详情	详情
(VII)	66844	(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate		C₂₃H₂₆N₄O₉.2H₂SO₄	详情	详情
(VIII)	66845	(4S,4aS,5aR,12aS)-9-amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate		C₂₃H₂₈N₄O₇.2H₂SO₄	详情	详情

合成路线2

该中间体在本合成路线中的序号：(II)

参考文献中间体

合成目标

【1】 Sum PE, How DB, Hopper DW, et al. 2005. Preparation of oxazole derivatives of tetracyclines as antibacterial agents. W0 2005056538

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)	65813	Minocycline hydrochloride; [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride	13614-98-7	C₂₃H₂₇N₃O₇.HCl	详情	详情
(II)	66844	(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate		C₂₃H₂₆N₄O₉.2H₂SO₄	详情	详情
(III)	66845	(4S,4aS,5aR,12aS)-9-amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate		C₂₃H₂₈N₄O₇.2H₂SO₄	详情	详情
(IV)	66848	(4S,4aS,5aR,12aS)-2-(chloromethyl)-5,8-bis(dimethylamino)-9,11a,12-trihydroxy-11,13-dioxo-6,6a,7,7a,8,11,11a,13-octahydro-1H-cyclopenta[a]tetracene-10-carboxamide		C₂₇H₃₀ClN₃O₆	详情	详情

Extended Information