2-methyl-but-2-enoic acid 7-(tert-butyl-dimethyl-silanyloxy)-2-(4-methoxy-phenyl)-6-[2,2,4-trimethyl-6-(1-propyl-but-3-enyloxy)-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy]-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester | 929682-58-6

分子结构分类

有机化合物 - 脂质和类脂质分子 - 糖脂

中文名称

——

中文别名

——

英文名称

2-methyl-but-2-enoic acid 7-(tert-butyl-dimethyl-silanyloxy)-2-(4-methoxy-phenyl)-6-[2,2,4-trimethyl-6-(1-propyl-but-3-enyloxy)-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy]-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester

英文别名

——

2-methyl-but-2-enoic acid 7-(tert-butyl-dimethyl-silanyloxy)-2-(4-methoxy-phenyl)-6-[2,2,4-trimethyl-6-(1-propyl-but-3-enyloxy)-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy]-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester化学式

CAS

929682-58-6

化学式

C₄₁H₆₄O₁₂Si

mdl

——

分子量

777.037

InChiKey

HTZIQMWGIGHLOR-DJLTYJCMSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

54-55 °C
沸点：

736.7±60.0 °C(predicted)
密度：

1.14±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

辛醇/水分配系数(LogP)：

7.51
重原子数：

54.0
可旋转键数：

14.0
环数：

5.0
sp3杂化的碳原子比例：

0.73
拓扑面积：

118.6
氢给体数：

0.0
氢受体数：

12.0

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
——	acetic acid 8-acetoxy-2-(4-methoxy-phenyl)-6-[2,2,4-trimethyl-6-(1-propyl-but-3-enyloxy)-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy]-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl ester	929682-81-5	C₃₄H₄₈O₁₃	664.747
——	(2R,4aR,6S,7R,8R,8aS)-6-[[(3aS,4R,6R,7R,7aS)-6-[(4S)-hept-1-en-4-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol	929682-56-4	C₃₀H₄₄O₁₁	580.673

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[(2S,3R,4S,5R,6R)-2-[[(3aS,4R,6R,7R,7aS)-6-[(4S)-hept-1-en-4-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-3-[dimethyl(phenyl)silyl]-3-phenylprop-2-enoyl]oxy-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-yl] (E)-2-methylbut-2-enoate	929682-63-3	C₅₈H₈₂O₁₃Si₂	1043.45
——	[(2S,3R,4S,5R,6R)-2-[[(3aS,4R,6R,7R,7aS)-6-[(4S)-hept-1-en-4-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-3-[dimethyl(phenyl)silyl]-3-phenylprop-2-enoyl]oxy-6-(hydroxymethyl)oxan-4-yl] (E)-2-methylbut-2-enoate	1055034-37-1	C₅₀H₇₄O₁₂Si₂	923.301
——	[(2R,3R,4S,5R,6S)-6-[[(3aS,4R,6R,7R,7aS)-6-[(4S)-hept-1-en-4-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-3-[dimethyl(phenyl)silyl]-3-phenylprop-2-enoyl]oxy-4-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]methyl 4-oxonon-8-enoate	929682-65-5	C₅₉H₈₆O₁₄Si₂	1075.49
——	[(1S,3R,4S,8S,9R,11R,13S,26R,27R,28S,29R)-29-[tert-butyl(dimethyl)silyl]oxy-27-[(Z)-3-[dimethyl(phenyl)silyl]-3-phenylprop-2-enoyl]oxy-6,6,9-trimethyl-20,23-dioxo-13-propyl-2,5,7,10,12,24,30-heptaoxatetracyclo[24.3.1.03,11.04,8]triacontan-28-yl] (E)-2-methylbut-2-enoate	929682-67-7	C₅₇H₈₄O₁₄Si₂	1049.46
——	[(2R,3R,4S,5R,6S)-6-[[(3aS,4R,6R,7R,7aS)-6-[(4S)-hept-1-en-4-yl]oxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-3-[dimethyl(phenyl)silyl]-3-phenylprop-2-enoyl]oxy-4-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]methyl (5S)-5-acetyloxy-4-oxonon-8-enoate	929682-73-5	C₆₁H₈₈O₁₆Si₂	1133.53
——	[(1S,3R,4S,8S,9R,11R,13S,19S,26R,27R,28S,29R)-19-acetyloxy-29-[tert-butyl(dimethyl)silyl]oxy-27-[(Z)-3-[dimethyl(phenyl)silyl]-3-phenylprop-2-enoyl]oxy-6,6,9-trimethyl-20,23-dioxo-13-propyl-2,5,7,10,12,24,30-heptaoxatetracyclo[24.3.1.03,11.04,8]triacontan-28-yl] (E)-2-methylbut-2-enoate	929682-75-7	C₅₉H₈₆O₁₆Si₂	1107.49
——	[(1S,3R,4S,8S,9R,11R,13S,26R,27R,28R,29R)-29-hydroxy-6,6,9-trimethyl-20,23-dioxo-27-[(E)-3-phenylprop-2-enoyl]oxy-13-propyl-2,5,7,10,12,24,30-heptaoxatetracyclo[24.3.1.03,11.04,8]triacontan-28-yl] (E)-2-methylbut-2-enoate	1055028-78-8	C₄₃H₆₀O₁₄	800.941
——	[(1S,3R,4S,8S,9R,11R,13S,19S,26R,27R,28R,29R)-19-acetyloxy-29-hydroxy-6,6,9-trimethyl-20,23-dioxo-27-[(E)-3-phenylprop-2-enoyl]oxy-13-propyl-2,5,7,10,12,24,30-heptaoxatetracyclo[24.3.1.03,11.04,8]triacontan-28-yl] (E)-2-methylbut-2-enoate	1053260-83-5	C₄₅H₆₂O₁₆	858.978
——	ipomoeassin B	850894-52-9	C₄₀H₅₆O₁₄	760.876
——	ipomoeassin E	850894-55-2	C₄₂H₅₈O₁₆	818.913

反应信息

作为反应物：

描述：

2-methyl-but-2-enoic acid 7-(tert-butyl-dimethyl-silanyloxy)-2-(4-methoxy-phenyl)-6-[2,2,4-trimethyl-6-(1-propyl-but-3-enyloxy)-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy]-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester 在 tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene](benzylidene)Ru(II) dichloride 、 RhCl(PPh₃)3