2,2,2-trichloroethyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-cyano-4-methoxy-5-methyl-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate | 442663-57-2

分子结构分类

有机化合物 - 有机杂环化合物 - 四氢异喹啉

中文名称

——

中文别名

——

英文名称

2,2,2-trichloroethyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-cyano-4-methoxy-5-methyl-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate

英文别名

——

2,2,2-trichloroethyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-cyano-4-methoxy-5-methyl-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate化学式

CAS

442663-57-2

化学式

C₅₀H₅₈Cl₃N₃O₁₀Si

mdl

——

分子量

995.469

InChiKey

OCDQNTYBNVEZSI-GBIACMERSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

10.88
重原子数：

67
可旋转键数：

18
环数：

7.0
sp3杂化的碳原子比例：

0.46
拓扑面积：

138
氢给体数：

0
氢受体数：

12

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
——	nitrile compound	442663-56-1	C₄₈H₅₆Cl₃N₃O₉Si	953.432
——	(3R,5R,6R,12S,12aS)-2,2,2-trichloroethyl 7-(benzyloxy)-3-[6-(benzyloxy)-7-methylbenzo[d][1,3]dioxol-4-yl]-5-{[(tert-butyldimethylsilyl)oxy]methyl}-8-methoxy-9-methyl-3,5,6,11,12,12a-hexahydro-2H-6,12-epiminobenzo[e]oxazolo[3,2-a]azocine-13-carboxylate	442663-35-6	C₄₇H₅₅Cl₃N₂O₉Si	926.406
——	2,2,2-trichloroethyl (1R,9S,12R)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(1R)-2-hydroxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-55-0	C₄₇H₅₅Cl₃N₂O₁₀Si	942.406
——	silanylether	442663-53-8	C₄₄H₅₃Cl₃N₂O₁₂Si	936.356
——	2,2,2-trichloroethyl (1R,9S,12R)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(1R)-2-hydroxy-1-(6-hydroxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-54-9	C₄₀H₄₉Cl₃N₂O₁₀Si	852.281
——	2,2,2-trichloroethyl (1R,9S,12R)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-12-(hydroxymethyl)-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-34-5	C₃₈H₃₉Cl₃N₂O₁₂	822.093
——	(1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.0^2,7]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester	442663-52-7	C₃₈H₃₇Cl₃N₂O₁₁	804.078
——	tert-butyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-51-6	C₄₀H₄₄N₂O₁₁	728.796
——	tert-butyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate	442663-32-3	C₃₉H₄₄N₂O₁₂S	764.851