Mycophenolic acid; (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoic acid -Drug Synthesis Database

【结构式】

【分子编号】12854

【品名】Mycophenolic acid; (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoic acid

【CA登记号】483-60-3

【分子式】C₁₇H₂₀O₆

【分子量】320.3422

【元素组成】C 63.74% H 6.29% O 29.97%

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：(I)

Commercially available mycophelonic acid (I) is converted to its chloride (II) by means of thionyl chloride in dichloromethane/DMF and then esterified with 2-(4-morpholinyl)ethanol (III) in dichloromethane.

参考文献中间体

合成目标

【1】 Robinson, C.; Castaner, J.; Mycophenolate Mofetil. Drugs Fut 1995, 20, 4, 356.
【2】 Allison, A.C.; Eugui, E.M.; Nelson, P.H.; Gu, C.-L.L.; Lee, W.A. (Syntex (USA), Inc.); Treatment of allograft rejection with mycophenolic acid morpholinoethyl ester and derivs. Thereof. US 4786637 .
【3】 Nelson, P.H.; Gu, C.-L.L.; Allison, A.C.; Eugui, E.M.; Lee, W.A. (Syntex (USA), Inc.); Morpholinoethylesters of mycophenolic acid and pharmaceutical compsns. AU 8782540; EP 0281713; JP 1988188672; US 4753935 .
【4】 Leung, K.; Nelson, P.H.; Miksztal, A.R.; Lee, W.A.; Gu, L.; Chu, N.; Bioavailability improvement of mycophenolic acid through amino ester derivatization. Pharm Res 1990, 7, 2, 161-6.

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)	12854	Mycophenolic acid; (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoic acid	483-60-3	C₁₇H₂₀O₆	详情	详情
(II)	12855	(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl chloride		C₁₇H₁₉ClO₅	详情	详情
(III)	12856	4-(2-Hydroxyethyl)morpholine; 2-(4-Morpholinyl)-1-ethanol; N-(2-Hydroxyethyl)morpholine	622-40-2	C₆H₁₃NO₂	详情	详情

Extended Information