(2S,5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate -Drug Synthesis Database

【结构式】

【分子编号】66305

【品名】(2S,5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate

【CA登记号】　

【分子式】C₁₈H₂₆FN₃O₄S

【分子量】399.487

【元素组成】C 54.12% H 6.56% F 4.76% N 10.52% O 16.02% S 8.03%

与该中间体有关的原料药合成路线共 3 条

该中间体在本合成路线中的序号：(X)

【1】 Mansour T,Jin H.et al.1997.Processes for the diastereoselective synthesisof nucleoside analogues. US 5696254

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)	36958	1,4-dithiane-2,5-diol	40018-26-6	C₄H₈O₂S₂	详情	详情
(II)	15618	2-Oxoacetic acid; Glyoxylic Acid	298-12-4	C₂H₂O₃	详情	详情
(III)	66301	(2S,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid		C₄H₆O₄S	详情	详情
(IV)	66302	(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid	147027-04-1	C₄H₆O₄S	详情	详情
(V)	15620	(2R,5R)-5-(acetoxy)-1,3-oxathiolane-2-carboxylic acid	147027-05-2	C₆H₈O₅S	详情	详情
(VI)	66303	(2R,5S)-2-isopropyl-5-methylcyclohexanol		C₁₀H₂₀O	详情	详情
(VII)	55067	(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate		C₁₆H₂₆O₅S	详情	详情
(VIII)	66304			C₁₆H₂₆O₅S	详情	详情
(IX)	36959	5-fluoro-N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine; N-[5-fluoro-2-[(trimethylsilyl)oxy]-4-pyrimidinyl]-N-(trimethylsilyl)amine		C₁₀H₂₀FN₃OSi₂	详情	详情
(X)	66305	(2S,5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate		C₁₈H₂₆FN₃O₄S	详情	详情

该中间体在本合成路线中的序号：(X)

【1】 Ren D．2005．Inclustrial scale preparation of emtricitabine.发明专利申请公开说明书，CN 1563002

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(VIII）	36959	5-fluoro-N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine; N-[5-fluoro-2-[(trimethylsilyl)oxy]-4-pyrimidinyl]-N-(trimethylsilyl)amine		C₁₀H₂₀FN₃OSi₂	详情	详情
(I)	36958	1,4-dithiane-2,5-diol	40018-26-6	C₄H₈O₂S₂	详情	详情
(II)	15618	2-Oxoacetic acid; Glyoxylic Acid	298-12-4	C₂H₂O₃	详情	详情
(VI)	66303	(2R,5S)-2-isopropyl-5-methylcyclohexanol		C₁₀H₂₀O	详情	详情
(X)	66305	(2S,5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate		C₁₈H₂₆FN₃O₄S	详情	详情
(XI)	66306	(2R,5S)-2-isopropyl-5-methylcyclohexyl 2-oxoacetate		C₁₂H₂₀O₃	详情	详情
(XII)	66308	(5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate		C₁₄H₂₄O₄S	详情	详情
(XIII)	66307	(5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate		C₁₆H₂₆O₅S	详情	详情

该中间体在本合成路线中的序号：(X)

【1】 Richhariya S.Singh K, et aL 2007.Process for the preparation of crystalline l-menthyl (ZR.5S)-5-( 4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)[1,3]oxathiolanr2-carboxylate. W0 2007077505

中间体序号	中间体编号	品名	分子式	供应商	用于合成
（VIII）	36959	5-fluoro-N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine; N-[5-fluoro-2-[(trimethylsilyl)oxy]-4-pyrimidinyl]-N-(trimethylsilyl)amine	C₁₀H₂₀FN₃OSi₂	详情	详情
(X)	66305	(2S,5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate	C₁₈H₂₆FN₃O₄S	详情	详情
(XII)	66308	(5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate	C₁₄H₂₄O₄S	详情	详情
(XIV)	66309	(5R)-(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 5-chloro-1,3-oxathiolane-2-carboxylate	C₁₄H₂₃ClO₃S	详情	详情

Extended Information