
TY  - JOUR
A1  - Hambley, TW 
A1  - Hambley, TW 
A1  - Sternhell, S 
A1  - Sternhell, S 
A1  - Tansey, CW 
A1  - Tansey, CW 
T1  - The Synthesis and Structure of 3,4-Di-t-butylbenzoic Acid
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1990
VL  - 43
IS  - 5
SP  - 807
EP  - 814
KW  - 
UR  - https://doi.org/10.1071/CH9900807 
N2  - 3,4-Di-t-butylbenzoic acid (1) was synthesized by a seven-step sequence from 4-t-butylbenzoic acid, and its structure was determined by X-ray diffraction and refined to a residual of 0.065 for 1403 independent observed reflections. The crystals are triclinic, P&#299; , a 6.080(1), b 8.777(1), c 13.912(3)&#506;, &#945; 80.76(2), &#946; 80.84(2), &#947; 75.62(2)&#176;. It is the only example of a simple ortho-di-t-butylbenzene whose structure has been determined. The benzene ring experiences some out-of-plane distortion but, in general, strain is relieved by in-plane bond stretching and angular distortions. 
ER  -

