27,28-Dichloro-2,16,22,29-tetramethyl-2,4,6,12,14,16,18,20,22,24,26,29-dodecazahexacyclo[21.3.1.17,11.117,21.03,8.010,15]nonacosa-1(27),3,5,7,10,12,14,17(28),18,20,23,25-dodecaen-9-one | 1610790-23-2

分子结构分类

有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类

中文名称

——

中文别名

——

英文名称

27,28-Dichloro-2,16,22,29-tetramethyl-2,4,6,12,14,16,18,20,22,24,26,29-dodecazahexacyclo[21.3.1.17,11.117,21.03,8.010,15]nonacosa-1(27),3,5,7,10,12,14,17(28),18,20,23,25-dodecaen-9-one

英文别名

27,28-dichloro-2,16,22,29-tetramethyl-2,4,6,12,14,16,18,20,22,24,26,29-dodecazahexacyclo[21.3.1.17,11.117,21.03,8.010,15]nonacosa-1(27),3,5,7,10,12,14,17(28),18,20,23,25-dodecaen-9-one

CAS

1610790-23-2

化学式

C₂₁H₁₆Cl₂N₁₂O

mdl

——

分子量

523.344

InChiKey

XEEAYQXMWAILRT-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

36
可旋转键数：

0
环数：

6.0
sp3杂化的碳原子比例：

0.19
拓扑面积：

140
氢给体数：

0
氢受体数：

9

上下游信息

反应信息

作为产物：

描述：

2,8,14,20-Tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25-carbaldehyde 在 N-氯代丁二酰亚胺、 N-溴代丁二酰亚胺(NBS) 、偶氮二异丁腈、溶剂黄146 作用下，以 1,1,2,2-四氯乙烷为溶剂，反应 4.0h，生成 27,28-Dichloro-2,16,22,29-tetramethyl-2,4,6,12,14,16,18,20,22,24,26,29-dodecazahexacyclo[21.3.1.17,11.117,21.03,8.010,15]nonacosa-1(27),3,5,7,10,12,14,17(28),18,20,23,25-dodecaen-9-one

参考文献：

名称：

Synthesis of functionalized azacalix[3]aromatics from azacalix[4]pyrimidine: unexpected macrocyclic transannular reactions

摘要：

The lower-rim formylated azacalix[4]pyrimidine underwent transannular Friedel-Crafts and dehydrogenative cross coupling reactions to afford, respectively, 2,4,5,7-tetraaza-9,10-dihydroacridine and -dihydroacridin-9-one containing azacalix[3]aromatics. Dihalogenation of the later compound produced resolvable inherently chiral azacalix[3]aromatics. (C) 2014 Elsevier Ltd. All rights reserved.

DOI：

10.1016/j.tetlet.2014.04.034

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文献信息

Synthesis of functionalized azacalix[3]aromatics from azacalix[4]pyrimidine: unexpected macrocyclic transannular reactions

作者：Jiang-Tao Li、De-Xian Wang、Liang Zhao、Mei-Xiang Wang

DOI：10.1016/j.tetlet.2014.04.034

日期：2014.5

The lower-rim formylated azacalix[4]pyrimidine underwent transannular Friedel-Crafts and dehydrogenative cross coupling reactions to afford, respectively, 2,4,5,7-tetraaza-9,10-dihydroacridine and -dihydroacridin-9-one containing azacalix[3]aromatics. Dihalogenation of the later compound produced resolvable inherently chiral azacalix[3]aromatics. (C) 2014 Elsevier Ltd. All rights reserved.

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