66,67-Dimethyl-3-(4-methylphenyl)sulfonyl-3-azatritriacontacyclo[62.4.0.04,26.04,63.05,24.06,61.07,59.08,23.09,21.010,58.011,56.012,20.013,18.014,55.015,53.016,50.017,48.019,46.022,45.025,44.027,42.028,40.029,63.030,38.031,62.032,36.033,60.034,57.035,54.037,52.039,51.041,49.043,47]octahexaconta-1(64),5(24),6,8(23),9,11,13,15,17,19,21,25,27(42),28,30,32,34,36,38,40,43,45,47,49,51,53,55,57,59,61,65,67-dotriacontaene | 1392847-66-3

分子结构分类

有机化合物 - 苯类化合物 - 菲及其衍生物

中文名称

——

中文别名

——

英文名称

66,67-Dimethyl-3-(4-methylphenyl)sulfonyl-3-azatritriacontacyclo[62.4.0.04,26.04,63.05,24.06,61.07,59.08,23.09,21.010,58.011,56.012,20.013,18.014,55.015,53.016,50.017,48.019,46.022,45.025,44.027,42.028,40.029,63.030,38.031,62.032,36.033,60.034,57.035,54.037,52.039,51.041,49.043,47]octahexaconta-1(64),5(24),6,8(23),9,11,13,15,17,19,21,25,27(42),28,30,32,34,36,38,40,43,45,47,49,51,53,55,57,59,61,65,67-dotriacontaene

英文别名

——

66,67-Dimethyl-3-(4-methylphenyl)sulfonyl-3-azatritriacontacyclo[62.4.0.04,26.04,63.05,24.06,61.07,59.08,23.09,21.010,58.011,56.012,20.013,18.014,55.015,53.016,50.017,48.019,46.022,45.025,44.027,42.028,40.029,63.030,38.031,62.032,36.033,60.034,57.035,54.037,52.039,51.041,49.043,47]octahexaconta-1(64),5(24),6,8(23),9,11,13,15,17,19,21,25,27(42),28,30,32,34,36,38,40,43,45,47,49,51,53,55,57,59,61,65,67-dotriacontaene化学式

CAS

1392847-66-3

化学式

C₇₆H₁₇NO₂S

mdl

——

分子量

1008.04

InChiKey

SMOHEOLGQHQONL-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

18.8
重原子数：

80
可旋转键数：

2
环数：

35.0
sp3杂化的碳原子比例：

0.08
拓扑面积：

45.8
氢给体数：

0
氢受体数：

3

反应信息

作为反应物：

描述：

66,67-Dimethyl-3-(4-methylphenyl)sulfonyl-3-azatritriacontacyclo[62.4.0.04,26.04,63.05,24.06,61.07,59.08,23.09,21.010,58.011,56.012,20.013,18.014,55.015,53.016,50.017,48.019,46.022,45.025,44.027,42.028,40.029,63.030,38.031,62.032,36.033,60.034,57.035,54.037,52.039,51.041,49.043,47]octahexaconta-1(64),5(24),6,8(23),9,11,13,15,17,19,21,25,27(42),28,30,32,34,36,38,40,43,45,47,49,51,53,55,57,59,61,65,67-dotriacontaene 在均三甲苯磺酸作用下，以邻二氯苯为溶剂，反应 2.5h，以67%的产率得到

参考文献：

名称：

Palladium-catalysed heteroannulation of [60]fullerene with N-benzyl sulfonamides and subsequent functionalisation

摘要：

钯催化的[60]富勒烯与各种N-苄基磺酰胺通过C-H键活化杂环化得到[60]富勒烯稠合的四氢异喹啉。在布朗斯台德酸存在下，[60]富勒烯稠合的四氢异喹啉转化为[60]富勒烯稠合的茚满，其中磺酰胺基团可以被除去或被芳基取代。

DOI：

10.1039/c2cc33923d
作为产物：

描述：

N-(3,4-dimethylbenzyl)-4-toluenesulfonamide 、足球烯在 dipotassium peroxodisulfate 、均三甲苯磺酸、 palladium diacetate 作用下，以邻二氯苯为溶剂，反应 1.5h，以33%的产率得到66,67-Dimethyl-3-(4-methylphenyl)sulfonyl-3-azatritriacontacyclo[62.4.0.04,26.04,63.05,24.06,61.07,59.08,23.09,21.010,58.011,56.012,20.013,18.014,55.015,53.016,50.017,48.019,46.022,45.025,44.027,42.028,40.029,63.030,38.031,62.032,36.033,60.034,57.035,54.037,52.039,51.041,49.043,47]octahexaconta-1(64),5(24),6,8(23),9,11,13,15,17,19,21,25,27(42),28,30,32,34,36,38,40,43,45,47,49,51,53,55,57,59,61,65,67-dotriacontaene

参考文献：

名称：

Palladium-catalysed heteroannulation of [60]fullerene with N-benzyl sulfonamides and subsequent functionalisation

摘要：

钯催化的[60]富勒烯与各种N-苄基磺酰胺通过C-H键活化杂环化得到[60]富勒烯稠合的四氢异喹啉。在布朗斯台德酸存在下，[60]富勒烯稠合的四氢异喹啉转化为[60]富勒烯稠合的茚满，其中磺酰胺基团可以被除去或被芳基取代。

DOI：

10.1039/c2cc33923d

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