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<3S-<3α,4α(2S^,4S^,6S^*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone | 108712-62-5

分子结构分类

有机化合物 - 有机金属化合物 - 有机类金属化合物

中文名称

——

中文别名

——

英文名称

<3S-<3α,4α(2S^*,4S^*,6S^*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone

英文别名

[3S-(3α,4α(2S^*,4S^*,6S^*),4aα,5β)]-5-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-4-[2-(4-{[(1,1-dimethylethyl)diphenylsilyl]oxy}tetrahydro-6-methoxy-2H-pyran-2-yl)ethyl]-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone；(3S,4S,4aR,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-3-methyl-3,4,4a,5,6,7-hexahydro-2H-naphthalen-1-one

<3S-<3α,4α(2S<sup>*</sup>,4S<sup>*</sup>,6S<sup>*</sup>),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone化学式

CAS

108712-62-5

化学式

C₄₁H₆₂O₅Si₂

mdl

——

分子量

691.111

InChiKey

DDPLQLXQYDZLCB-QKNDTKFTSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.82
重原子数：

48.0
可旋转键数：

10.0
环数：

5.0
sp3杂化的碳原子比例：

0.63
拓扑面积：

53.99
氢给体数：

0.0
氢受体数：

5.0

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(3S,4S)-4-[(1S,6S)-6-(tert-Butyl-dimethyl-silanyloxy)-cyclohex-2-enyl]-6-[(2R,4R,6R)-4-(tert-butyl-diphenyl-silanyloxy)-6-methoxy-tetrahydro-pyran-2-yl]-3-methyl-hexanal oxime	108712-59-0	C₄₁H₆₅NO₅Si₂	708.142
——	(3S,4S,4aR,5S,8R,8aR)-5-((tert-butyldimethylsilyl)oxy)-4-(2-((2R,4R,6R)-4-((tert-butyldiphenylsilyl)oxy)-6-methoxytetrahydro-2H-pyran-2-yl)ethyl)-8-hydroxy-3-methyloctahydronaphthalen-1(2H)-one	108712-61-4	C₄₁H₆₄O₆Si₂	709.127
——	<4S-<4α,5α(2S^,4S^,6S^*),5aα,6β,8aα,8bα>>-6-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-5-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-4,5,5a,6,7,8,8a,8b-octahydro-4-methyl-3H-naphth<1,8-cd>isoxazole	108712-60-3	C₄₁H₆₃NO₅Si₂	706.126

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(1S,3S,4S,4aR,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-3-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol	108712-63-6	C₄₁H₆₄O₅Si₂	693.127
——	<1S-<1α(2S^,4S^,6S^*),2α,8β,8aα>>-(1,1-dimethylethyl)-<<2-<2-<8-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-1,2,6,7,8,8a-hexahydro-2-methyl-1-naphthalenyl>ethyl>tetrahydro-6-methoxy-2H-pyran-4-yl>oxy>diphenylsilane	108712-64-7	C₄₁H₆₂O₄Si₂	675.112
——	(1S,7S,8S,8aR)-8-[2-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol	108712-65-8	C₃₅H₄₈O₄Si	560.849
——	[(1S,7S,8S,8aR)-8-[2-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate	108712-66-9	C₄₀H₅₆O₅Si	644.967
——	(S)-2-Methyl-butyric acid (1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4-(tert-butyl-diphenyl-silanyloxy)-6-hydroxy-tetrahydro-pyran-2-yl]-ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester	108743-01-7	C₃₉H₅₄O₅Si	630.94
——	[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate	108713-03-7	C₃₉H₅₂O₅Si	628.924

反应信息

作为反应物：

描述：

<3S-<3α,4α(2S^*,4S^*,6S^*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone 在 sodium tetrahydroborate 、 cerium(III) chloride 作用下，以甲醇为溶剂，反应 0.17h，以94%的产率得到(1S,3S,4S,4aR,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-3-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol

参考文献：

名称：

The isoxazoline route to the hypocholesterolemic agent compactin: use of the isoxazoline as a 1,3-diene equivalent

摘要：

DOI：

10.1021/jo00392a009
作为产物：

描述：

(3R,4R,4aS,5R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2R,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-8-hydroxy-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one 生成 <3S-<3α,4α(2S^*,4S^*,6S^*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone

参考文献：

名称：

KOZIKOWSKI, A. P.;LI, CHUN-SING, J. ORG. CHEM., 52,(1987) N 16, 3541-3552

摘要：

DOI：

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<3S-<3α,4α(2S^,4S^,6S^*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone | 108712-62-5

分子结构分类

计算性质

上下游信息

反应信息

同类化合物

相关结构分类

热门分子

<3S-<3α,4α(2S*,4S*,6S*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone | 108712-62-5

分子结构分类

计算性质

上下游信息

反应信息

同类化合物

相关结构分类

热门分子

<3S-<3α,4α(2S^,4S^,6S^*),4aα,5β>>-5-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-4-<2-<4-<<(1,1-dimethylethyl)diphenylsilyl>oxy>tetrahydro-6-methoxy-2H-pyran-2-yl>ethyl>-3,4,4,a,5,6,7,-hexahydro-3-methyl-1(2H)-naphthalenone | 108712-62-5