3-benzyloxycarbonyl-7-methoxy-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsauremethylester | 116527-87-8

分子结构分类

有机化合物 - 有机杂环化合物 - Pyrroloazepines

中文名称

——

中文别名

——

英文名称

3-benzyloxycarbonyl-7-methoxy-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsauremethylester

英文别名

3-O-benzyl 7-O-methyl 7-methoxy-1,2,4,5,6,8-hexahydroazonino[5,4-b]indole-3,7-dicarboxylate

3-benzyloxycarbonyl-7-methoxy-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsauremethylester化学式

CAS

116527-87-8

化学式

C₂₅H₂₈N₂O₅

mdl

——

分子量

436.508

InChiKey

PLQRTUMQICFCSE-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.16
重原子数：

32.0
可旋转键数：

4.0
环数：

4.0
sp3杂化的碳原子比例：

0.36
拓扑面积：

80.86
氢给体数：

1.0
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
——	3-benzyloxy-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsauremethylester	114476-15-2	C₂₄H₂₆N₂O₄	406.481
——	3-benzyloxycarbonyl-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsaurenitril	114476-24-3	C₂₃H₂₃N₃O₂	373.455
——	3-O-benzyl 7-O-methyl 12b-chloro-1,2,4,5,6,7-hexahydroazonino[5,4-b]indole-3,7-dicarboxylate	116556-57-1	C₂₄H₂₅ClN₂O₄	440.927

反应信息

作为产物：

描述：

3-benzyloxycarbonyl-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsaure 在盐酸、甲醇、次氯酸叔丁酯、三乙胺作用下，以四氯化碳、乙醚、二氯甲烷为溶剂，反应 1.17h，生成 3-benzyloxycarbonyl-7-methoxy-1,2,3,4,5,6,7,8-octahydroazonino<5,4-b>indol-7-carbonsauremethylester

参考文献：

名称：

Eine neue合成von vinblastin-derivaten III：合成和合成21，nb-- cleavmin- derivaten alsvorläuferzu 20 deethyl -20 deoxyvinblastin和（±）-16α-甲氧羰基-20-deethyl-15,20- dihydrocleavamin

摘要：

DOI：

10.1016/s0040-4020(01)86862-9

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