17,18,35,36,37,38,41,42-Octafluoro-2,15,20,33-tetrazanonacyclo[32.2.2.216,19.12,5.112,15.120,23.130,33.06,11.024,29]tetratetraconta-1(37),3,5(44),6,8,10,12(43),13,16,18,21,23(40),24,26,28,30(39),31,34(38),35,41-icosaene | 1443987-15-2

分子结构分类

有机化合物 - 有机卤素化合物 - 芳基卤化物

中文名称

——

中文别名

——

英文名称

17,18,35,36,37,38,41,42-Octafluoro-2,15,20,33-tetrazanonacyclo[32.2.2.216,19.12,5.112,15.120,23.130,33.06,11.024,29]tetratetraconta-1(37),3,5(44),6,8,10,12(43),13,16,18,21,23(40),24,26,28,30(39),31,34(38),35,41-icosaene

英文别名

17,18,35,36,37,38,41,42-octafluoro-2,15,20,33-tetrazanonacyclo[32.2.2.216,19.12,5.112,15.120,23.130,33.06,11.024,29]tetratetraconta-1(37),3,5(44),6,8,10,12(43),13,16,18,21,23(40),24,26,28,30(39),31,34(38),35,41-icosaene

CAS

1443987-15-2

化学式

C₄₀H₂₀F₈N₄

mdl

——

分子量

708.613

InChiKey

XFNQHMNEBNNWTE-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.9
重原子数：

52
可旋转键数：

0
环数：

12.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

19.7
氢给体数：

0
氢受体数：

8

反应信息

作为产物：

描述：

六氟苯、 1,2-di(1H-pyrrol-3-yl)benzene 在 sodium hydride 作用下，以四氢呋喃、 N,N-二甲基甲酰胺为溶剂，反应 1.17h，以20%的产率得到17,18,35,36,37,38,41,42-Octafluoro-2,15,20,33-tetrazanonacyclo[32.2.2.216,19.12,5.112,15.120,23.130,33.06,11.024,29]tetratetraconta-1(37),3,5(44),6,8,10,12(43),13,16,18,21,23(40),24,26,28,30(39),31,34(38),35,41-icosaene

参考文献：

名称：

Donor–Acceptor Segregated Paracyclophanes Composed of Naphthobipyrrole and Stacked Fluoroarenes

摘要：

The expeditious synthesis of donor-acceptor segregated paracyclophanes has been achieved by a selective SNAr reaction of hexafluorobenzene with o-dipyrrolylbenzenes and subsequent cyclodehydrogenation. An orthogonally arranged D-A segregated structure was confirmed by X-ray crystallography. The combined results of DFT calculations and absorption spectra revealed the charge transfer (CT) nature from the naphthobipyrrole (donor) to the stacked fluoroarene moiety (acceptor).

DOI：

10.1021/ol400882q

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文献信息

Donor–Acceptor Segregated Paracyclophanes Composed of Naphthobipyrrole and Stacked Fluoroarenes

作者：Masayoshi Takase、Ayumi Inabe、Yuki Sugawara、Wataru Fujita、Tohru Nishinaga、Kotohiro Nomura

DOI：10.1021/ol400882q

日期：2013.7.5

The expeditious synthesis of donor-acceptor segregated paracyclophanes has been achieved by a selective SNAr reaction of hexafluorobenzene with o-dipyrrolylbenzenes and subsequent cyclodehydrogenation. An orthogonally arranged D-A segregated structure was confirmed by X-ray crystallography. The combined results of DFT calculations and absorption spectra revealed the charge transfer (CT) nature from the naphthobipyrrole (donor) to the stacked fluoroarene moiety (acceptor).

同类化合物

试剂2,5-Dibromo-3,4-dihexylthiophene 苯-1,2,4-三羧酸-丙烷-1,2,3-三醇(1:1) 碘吡咯癸氯-二茂铁溴代二茂铁溴-(3-溴-2-噻嗯基)镁派瑞林D 派瑞林 F 二聚体氯代二茂铁曲洛酯异噻唑,3-氯-5-甲基- 地茂酮四碘噻吩四溴噻吩四溴吡咯四溴-N-甲基吡咯四氯噻吩四氟噻吩噻菌腈噻美尼定. 噻吩,3-溴-4-(1-辛炔基)- 噻吩,2,5-二氯-3,4-二(氯甲基)- 喷贝特咪唑烷,2-(4-溴-5-甲基-2-呋喃基)-1,3-二甲基- 叔丁基2-溴-4,6-二氢-5H-吡咯并[3,4-D]噻唑-5-羧酸酯叔-丁基2-溴-5,6-二氢咪唑并[1,2-A]吡嗪-7(8H)-甲酸基酯八氟联苯烯八氟二苯并硒吩二苯基氯化碘盐二联苯碘硫酸盐二氯对二甲苯二聚体二氯[2-甲基-3(2H)-异噻唑酮-O]的钙合物二氯-1,2-二硫环戊烯酮二-(3-溴-1,2,4-噻二唑-5-基)-二硫醚二(2-噻吩基)碘鎓 [四丁基铵][Δ-三(四氯-1,2-苯二醇酸根)磷酸盐(V)] [3-(4-氯-3,5-二甲基-1H-吡唑-1-基)丙基]胺 [3-(4-氯-1H-吡唑-1-基)-2-甲基丙基]胺 [2-(4-溴-吡唑-1-基)-乙基]-二甲胺 [1-(4-溴-3-甲基-1,2-噻唑-5-基)乙亚基氨基]硫脲 [1-(4-溴-1,2-噻唑-3-基)乙亚基氨基]硫脲 [1,1'-联苯]-2,2'-二基碘鎓 [(4-碘-1,2-噻唑-5-基)亚甲基氨基]硫脲 [(4-氯-1,2-噻唑-5-基)亚甲基氨基]硫脲 N-苄基-2-氯吡咯 N-Boc-2-氨基-3-溴噻吩 N-(2-氯-4-甲基-3-噻吩)-4,5-二氢-1H-咪唑-2-胺盐酸盐 N-(2,5-二溴-1H-吡咯-1-基)-氨基甲酸叔丁酯 N,N-二甲基-5-碘-1H-吡唑-1-磺酰胺 N,N-二甲基-2-(3,4,5-三溴吡唑-1-基)丙酰胺