[36-(Hydroxymethyl)-9,31,41,63-tetramethyl-4-tridecacyclo[59.3.1.12,6.17,11.118,22.129,33.134,38.139,43.150,54.014,19.021,26.046,51.053,58]doheptaconta-1(64),2(72),3,5,7,9,11(71),14,16,18(70),19,21,23,25,29(69),30,32,34,36,38(68),39,41,43(67),46,48,50,52,54(66),55,57,61(65),62-dotriacontaen-12,27,44,59-tetraynyl]methanol | 1231716-73-6

分子结构分类

有机化合物 - 苯类化合物 - 蒽

中文名称

——

中文别名

——

英文名称

[36-(Hydroxymethyl)-9,31,41,63-tetramethyl-4-tridecacyclo[59.3.1.12,6.17,11.118,22.129,33.134,38.139,43.150,54.014,19.021,26.046,51.053,58]doheptaconta-1(64),2(72),3,5,7,9,11(71),14,16,18(70),19,21,23,25,29(69),30,32,34,36,38(68),39,41,43(67),46,48,50,52,54(66),55,57,61(65),62-dotriacontaen-12,27,44,59-tetraynyl]methanol

英文别名

[36-(hydroxymethyl)-9,31,41,63-tetramethyl-4-tridecacyclo[59.3.1.12,6.17,11.118,22.129,33.134,38.139,43.150,54.014,19.021,26.046,51.053,58]doheptaconta-1(64),2(72),3,5,7,9,11(71),14,16,18(70),19,21,23,25,29(69),30,32,34,36,38(68),39,41,43(67),46,48,50,52,54(66),55,57,61(65),62-dotriacontaen-12,27,44,59-tetraynyl]methanol

CAS

1231716-73-6

化学式

C₇₈H₅₂O₂

mdl

——

分子量

1021.27

InChiKey

PLMVYBGQQMZICK-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

19.3
重原子数：

80
可旋转键数：

2
环数：

13.0
sp3杂化的碳原子比例：

0.08
拓扑面积：

40.5
氢给体数：

2
氢受体数：

2

反应信息

作为产物：

描述：

在甲胺作用下，以四氢呋喃、甲醇为溶剂，反应 48.0h，以73%的产率得到[36-(Hydroxymethyl)-9,31,41,63-tetramethyl-4-tridecacyclo[59.3.1.12,6.17,11.118,22.129,33.134,38.139,43.150,54.014,19.021,26.046,51.053,58]doheptaconta-1(64),2(72),3,5,7,9,11(71),14,16,18(70),19,21,23,25,29(69),30,32,34,36,38(68),39,41,43(67),46,48,50,52,54(66),55,57,61(65),62-dotriacontaen-12,27,44,59-tetraynyl]methanol

参考文献：

名称：

Macrocyclic Amphiphiles with 1,8-Anthrylene Fluorophores: Synthesis and Attempts toward Two-Dimensional Organization

摘要：

New macrocyclic amphiphiles with two or three integrated 1,8-anthrylenes have been synthesized by an iterative Sonogashira cross-coupling protocol. The final cyclization has been conducted with 80% yield under cuprous-free dilution conditions. Formation of a monolayer at the air/water interface has also been demonstrated. These results open the intriguing possibility to construct large 2D supramolecular/macromolecular systems for which unique photophysical and -chemical properties are expected.

DOI：

10.1021/ol100877g

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