Helal, Mustafa R. published the artcileConformational analysis of some β-halohydrins via G3 calculations, Synthetic Route of 55376-31-3, the publication is Jordan Journal of Chemistry (2013), 8(1), 19-30, database is CAplus.
The conformational anal. of fifteen β-halohydrins, XCR1R2CR3R4OH, (X = F, Cl and Br) had been studied by ab initio G3 method. The enthalpies of formation values were calculated for nine conformers of each β-halohydrin. The (g–, g+) and (g+, g–) conformers are the most stable due to intramol. H-bond formation. These H-bonds are weaker than intermol. H-bonds formed between alkyl halides and alcs. This trend is more obvious in fluoro-species. The rotation of C- X bond of (g–, g+) conformers by 360° gives three transition states, this rotation was found to require 6-7 kcal/mol.
Jordan Journal of Chemistry published new progress about 55376-31-3. 55376-31-3 belongs to alcohols-buliding-blocks, auxiliary class Polymerization Reagents,ATRP Initiators, name is 2-Bromo-2-methylpropan-1-ol, and the molecular formula is C4H9BrO, Synthetic Route of 55376-31-3.
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