Synthesis and molecular structure of 12-iodo-1-(4-pentylquinuclidin-1-yl)-1-carba-closo-dodecaborane

被引：24

作者：

Douglass, AG

Janousek, Z

Kaszynski, P

Young, VG

机构：

[1] Vanderbilt Univ, Dept Chem, Organ Mat Res Grp, Nashville, TN 37235 USA

[2] Univ Minnesota, Dept Chem, Xray Crystallog Lab, Minneapolis, MN 55455 USA

[3] Acad Sci Czech Republ, Inst Inorgan Chem, CZ-25068 Rez, Czech Republic

来源：

INORGANIC CHEMISTRY | 1998年 / 37卷 / 24期

关键词：

D O I：

10.1021/ic980775x

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Trialkylation of 1-amino-1-carba-closo-dodecabarane with 1-bromo-3,3-bis(2-bromoethyl)octane affords 1-(4-pentylquinuclidin-1-yl)-1-carba-closo-dodecaborane in 29% yield which can then be iodinated to form title compound 1 in 40% yield. The molecular and crystal structure of 1 has been determined by X-ray crystallography [C13H33B11IN, monoclinic P2(1)/c: a 10.3405(2) Angstrom, b = 16.4404(1) Angstrom, c = 12.7223(2) Angstrom, beta = 100.156(1)degrees, Z = 4]. The structural features of 1 are compared with those in analogous compounds. The B-I bond length (2.196(6) Angstrom) is an intermediate value between those found in neutral iodocarboranes and charged B12H11I(-2). NMR data is correlated with the structure of 1 and the additivity of NR3 and halogen substituent effects is tested.

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页码：6361 / 6365

页数：5

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