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Conformational Analysis of N,N,N-Trimethyl-(3,3-dimethylbutyl)ammonium Iodide by NMR Spectroscopy: A Sterically Hindered Trans-Standard

Conformational Analysis of N,N,N-Trimethyl-(3,3-dimethylbutyl)ammonium Iodide by NMR Spectroscopy: A Sterically Hindered Trans-Standard

Albert Tianxiang Liu, Mrinmoy Nag, William R Carroll, John D Roberts

Magn Reson Chem. 2013 Nov;51(11):701-4.

PMID: 25940961

Abstract:

A predominantly trans-1,2-disubstituted ethane system - N,N,N-trimethyl-(3,3-dimethylbutyl)ammonium iodide - is of particular interest for conformational analysis, because it contains both an organic and a highly polar substituent, making it soluble and thus applicable to study in a large variety of solvents. The fraction of the trans conformer of this molecule in a wide range of protic and aprotic solvents was determined by the nuclear magnetic resonance proton couplings to be approximately 90%, in contrast to the previously assumed 100%. The consistently strong preference of the trans conformation should establish N,N,N-trimethyl-(3,3-dimethylbutyl)ammonium iodide as a possibly useful 'trans-standard' in conformational analysis, much more so than 1,2-ditert-butylethane, which has a poor solubility in many solvents.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP12027064	Ammonium iodide		12027-06-4	Price

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