18-Nonyl-20,23,25,28-tetraoxaundecacyclo[24.19.0.02,22.03,8.09,21.010,19.012,17.027,39.029,38.031,36.040,45]pentatetraconta-1(26),2(22),3,5,7,9(21),10,12,14,16,18,27(39),29,31,33,35,37,40,42,44-icosaene | 1578258-80-6

分子结构分类

有机化合物 - 有机杂环化合物 - 萘并呋喃类

中文名称

——

中文别名

——

英文名称

18-Nonyl-20,23,25,28-tetraoxaundecacyclo[24.19.0.02,22.03,8.09,21.010,19.012,17.027,39.029,38.031,36.040,45]pentatetraconta-1(26),2(22),3,5,7,9(21),10,12,14,16,18,27(39),29,31,33,35,37,40,42,44-icosaene

英文别名

18-nonyl-20,23,25,28-tetraoxaundecacyclo[24.19.0.02,22.03,8.09,21.010,19.012,17.027,39.029,38.031,36.040,45]pentatetraconta-1(26),2(22),3,5,7,9(21),10,12,14,16,18,27(39),29,31,33,35,37,40,42,44-icosaene

CAS

1578258-80-6

化学式

C₅₀H₄₀O₄

mdl

——

分子量

704.865

InChiKey

YYNMUWNGOBTGOY-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

16.1
重原子数：

54
可旋转键数：

8
环数：

11.0
sp3杂化的碳原子比例：

0.2
拓扑面积：

44.7
氢给体数：

0
氢受体数：

4

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
——	9-(10-Hydroxy-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)-14-nonyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-ol	1578258-79-3	C₄₉H₄₀O₄	692.854

反应信息

作为产物：

描述：

9-(10-Hydroxy-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)-14-nonyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-ol 、二溴甲烷在 potassium carbonate 作用下，以 N,N-二甲基甲酰胺为溶剂，反应 72.0h，以44%的产率得到18-Nonyl-20,23,25,28-tetraoxaundecacyclo[24.19.0.02,22.03,8.09,21.010,19.012,17.027,39.029,38.031,36.040,45]pentatetraconta-1(26),2(22),3,5,7,9(21),10,12,14,16,18,27(39),29,31,33,35,37,40,42,44-icosaene

参考文献：

名称：

Synthesis and Properties of Butterfly-Shaped Expanded Naphthofuran Derivatives

摘要：

The construction of dinaphtho[2,1-b;2',3'-d]furan-6-ol was developed via a dehydration reaction involving two molecules of 2,3-dihydroxynaphthalene in the presence of a strong acid. Starting from the dinaphthofuran, a variety of butterfly shaped derivatives were synthesized. The optical properties of these compounds were investigated with special attention to the dihedral angle formed by adjacent dinaphthofuran rings and/or the sizes of the fused aromatic rings.

DOI：

10.1021/jo500085a

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文献信息

Synthesis and Properties of Butterfly-Shaped Expanded Naphthofuran Derivatives

作者：Kentaro Nakanishi、Takahiro Sasamori、Kouji Kuramochi、Norihiro Tokitoh、Takeo Kawabata、Kazunori Tsubaki

DOI：10.1021/jo500085a

日期：2014.3.21

The construction of dinaphtho[2,1-b;2',3'-d]furan-6-ol was developed via a dehydration reaction involving two molecules of 2,3-dihydroxynaphthalene in the presence of a strong acid. Starting from the dinaphthofuran, a variety of butterfly shaped derivatives were synthesized. The optical properties of these compounds were investigated with special attention to the dihedral angle formed by adjacent dinaphthofuran rings and/or the sizes of the fused aromatic rings.

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