CAS: 204254-84-2; Ethyl 2,2-Dimethyl-7-((Methylsulfonyl)Oxy)-3A,6,7,7A-Tetrahydrobenzo[d][1,3]Dioxole-5-Carboxylate

上下游产品

pyrrolidine ethyl (3aR,5S,7R,7aR)-5-hydroxy-7-methanesulfonyloxy-2,2-dimethylhexahydrobenzo[1,3]dioxole-5-carboxylate shikimic acid D-(-)-quinic acid ethyl (3aR,7R,7aR)-2,2-dimethyl-7-methanesulfonyloxy-3a,6,7,7a-tetrahydrobenzo[1,3]dioxole-5-carboxylate ethyl-(3R,4R,5S)-4-amino-5-azido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate oseltamivir (1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester

📜莽草酸置于氯化亚砜,对甲苯磺酸,三乙胺体系中,用 氯仿,乙酸乙酯 用作溶剂,化学反应 4.5H,反应生成奥司他韦杂质55
参考文献:乙基(3Ar,7R,7Ar)-2,2-二甲基-7-((甲基磺酰基)氧基)-3A,6,7,7A-四氢苯并[d][1,3]二氧杂环戊烷的合成,晶体结构和dft研究-5-羧酸盐
标题:乙基(3Ar,7R,7Ar)-2,2-二甲基-7-((甲基磺酰基)氧基)-3A,6,7,7A-四氢苯并[d][1,3]二氧杂环戊烷的合成,晶体结构和dft研究-5-羧酸盐
摘要:乙基 ( 3Ar,7R,7Ar)-2,2-Dimethyl-7-((Methylsulfonyl)Oxy)-3A,6,7,7A-Tetrahydrobenzo [d][1,3]Dioxole-5-Carboxylate是奥司他韦的关键中间体,其晶体结构和密度泛函理论(dft)研究有利于探索更多工业应用的反应途径.本论文以莽草酸为起始原料,经酯化,缩合,磺酰化反应合成了标题化合物.它的单晶是通过溶液结晶和晶体学分析得到的.使用 B3Lyp/6-311+g(2D,P) 模式下的 Dft 计算最佳结构和前沿轨道能量.将 Dft 优化的分子结构与 X 射线单晶衍射确定的晶体结构进行比较,结果相似.
Doi:10.1016/j.Molstruc.2023.135214

专利信息

专利号:US-6518438-B2
优先权日:1996-08-23
标题:Preparation of cyclohexene carboxylate derivatives
发明人：KENT KENNETH M; KIM CHOUNG U; MCGEE LAWRENCE R; MUNGER JOHN D; PRISBE ERNEST J; POSTICH MICHAEL J; ROHLOFF JOHN C; KELLY DAPHNE E; WILLIAMS MATTHEW A; ZHANG LIJUN
权利人:GILEAD SCIENCES INC
摘要:The present invention provides new synthetic methods and compositions. In particular, new methods of preparing intermediates useful in the synthesis of neuraminidase inhibitors and compositions useful as intermediates that are themselves useful in the synthesis of neuraminidase inhibitors are provided.

专利号:US-9150498-B2
优先权日:2011-10-25
标题:Process for the preparation of oseltamivir and methyl 3-epi-shikimate
发明人：RAWAT VARUN; DEY SOUMEN; ARUMUGAM SUDALAI
权利人:COUNCIL SCIENT IND RES
摘要:The present invention discloses high yielding enantioselective process for synthesis of Oseltamivir from readily available starting material, cis-1,4-butene diol. The process features incorporation of chirality using sharpless asymmetric epoxidation (AE) and diastereoselective Barbier allylation and construction of cyclohexene carboxylic acid ester core through a ring closing metathesis (RCM) reaction. Further also disclosed herein is synthesis of (−)-methyl 3-epi-shikimate.

专利号:US-2004053999-A1
优先权日:1997-09-17
标题 :Novel compounds and methods for synthesis and therapy
发明人：BISCHOFBERGER NORBERT W; DAHL TERRENCE C; HITCHCOCK MICHAEL J M; KIM CHOUNG U; LEW WILLARD; LIU HONGTAO; MILLS ROGER G; WILLIAMS MATTHEW A
摘要:Novel compounds are described. The compounds generally comprise an acidic group, a basic group, a substituted amino or N-acyl and a group having an optionally hydroxylated alkane moiety. Pharmaceutical compositions comprising the inhibitors of the invention are also described. Methods of inhibiting neuraminidase in samples suspected of containing neuraminidase are also described. Antigenic materials, polymers, antibodies, conjugates of the compounds of the invention with labels, and assay methods for detecting neuraminidase activity are also described.