(4S,5S,6S,7S,9R)-5-{2-[(2R,4R)-4-{[二甲基(2-甲基-2-丙基)硅烷基]氧基}-6-氧代四氢-2H-吡喃-2-基]乙基}-4-甲基-11-氧杂三环[7.2.1.01,6]十二碳-2-烯-7-基2,2-二甲基丁酸酯

CAS号：125175-64-6

英文名：4a',6'-Anhydro-4-tert-butyldimethylsilyl Simvastatin

分子式

C31H52O6Si

熔点

密度

分子量

548.826

沸点

溶解度

信号词

危险品标志

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化合物简介

Intermediate of the Simvastatin hydroxymethyl metabolite preparation.

基本信息

中文名称

(4S,5S,6S,7S,9R)-5-{2-[(2R,4R)-4-{[二甲基(2-甲基-2-丙基)硅烷基]氧基}-6-氧代四氢-2H-吡喃-2-基]乙基}-4-甲基-11-氧杂三环[7.2.1.01,6]十二碳-2-烯-7-基2,2-二甲基丁酸酯

英文名称

4a',6'-Anhydro-4-tert-butyldimethylsilyl Simvastatin

中文别名

英文别名

2,2-Dimethylbutanoic Acid [3R-[3|A,5|A,5a|A,6|A(2R*,4R*),7|A,9aS*]]-6-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-3,4,5,5a,6,7-hexahydro-7-methyl-2H-3,9a-methano-1-benzoxepin-5-yl Ester

CAS号

125175-64-6

分子式

C31H52O6Si

分子量

548.826

精确质量

548.353

PSA

71.06

LOGP

6.8279

物化性质

折射率

1.51

合成路线

共找到1条合成路线 >

125175-63-5

(1aR,3R,4R,4aS,5S,7R,8aR)-4-(2-((2R,4R)-4-((tert-butyldimethylsilyl)oxy)-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-iodo-3,7-dimethyloctahydro-3H-naphtho[1,8a-b]oxiren-5-yl 2,2-dimethylbutanoate

125175-64-6

(4S,5S,6S,7S,9R)-5-{2-[(2R,4R)-4-{[二甲基(2-甲基-2-丙基)硅烷基]氧基}-6-氧代四氢-2H-吡喃-2-基]乙基}-4-甲基-11-氧杂三环[7.2.1.01,6]十二碳-2-烯-7-基2,2-二甲基丁酸酯

上游原料

6(R)-[2-[8(S)-((2,2-Dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydronaphth-1(S)-yl]ethyl]-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one

125175-63-5

(1aR,3R,4R,4aS,5S,7R,8aR)-4-(2-((2R,4R)-4-((tert-butyldimethylsilyl)oxy)-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-iodo-3,7-dimethyloctahydro-3H-naphtho[1,8a-b]oxiren-5-yl 2,2-dimethylbutanoate

79902-63-9

辛伐他汀

123852-10-8

(1S,3R,4S,4aS,7S,8S,8aS)-4-氯-8-{2-[(2R,4R)-4-{[二甲基(2-甲基-2-丙基)硅烷基]氧基}-6-氧代四氢-2H-吡喃-2-基]乙基}-4A-羟基-3,7-二甲基-1,2,3,4,4A,7,8,8A-八氢-1-萘基2,2-二甲基丁酸酯

下游产品

(4R,6R)-4-Hydroxy-6-[2-((R)-6-hydroxymethyl-2-methyl-5,6,7,8-tetrahydro-naphthalen-1-yl)-ethyl]-tetrahydro-pyran-2-one

上游原料

叔丁基二甲基氯硅烷 6(R)-[2-[8(S)-((2,2-Dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydronaphth-1(S)-yl]ethyl]-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one (1aR,3R,4R,4aS,5S,7R,8aR)-4-(2-((2R,4R)-4-((tert-butyldimethylsilyl)oxy)-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-iodo-3,7-dimethyloctahydro-3H-naphtho[1,8a-b]oxiren-5-yl 2,2-dimethylbutanoate 辛伐他汀 (1S,3R,4S,4aS,7S,8S,8aS)-4-氯-8-{2-[(2R,4R)-4-{[二甲基(2-甲基-2-丙基)硅烷基]氧基}-6-氧代四氢-2H-吡喃-2-基]乙基}-4A-羟基-3,7-二甲基-1,2,3,4,4A,7,8,8A-八氢-1-萘基2,2-二甲基丁酸酯

下游产品

6’-羟基甲基辛伐他汀 (4R,6R)-4-Hydroxy-6-[2-((R)-6-hydroxymethyl-2-methyl-5,6,7,8-tetrahydro-naphthalen-1-yl)-ethyl]-tetrahydro-pyran-2-one