The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Pentaerythrityltetrabromide( cas:3229-00-3 ) is researched.Name: Pentaerythrityltetrabromide.Rustad, Steinar; Stoelevik, Reidar published the article 《Conformational analysis. XI. The molecular structure, torsional oscillations, and conformational equilibria of gaseous tetrakis(bromomethyl)methane, C(CH2Br)4, as determined by electron diffraction and compared with molecular-mechanics calculations》 about this compound( cas:3229-00-3 ) in Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry. Keywords: bromomethylpropane gas mol structure vibration; propane bromomethyl gas mol structure. Let’s learn more about this compound (cas:3229-00-3).
Gaseous C(CH2Br)4 was studied by electron diffraction. Two conformers named D (D2d symmetry) and S (S4 symmetry) were detected. The results are presented with error limits (2σ). The following values for distances (rg) and angles (∠α) are appropriate for the structure of both conformers: r(C-H) = 1.09(5) Å, r(C-C) = 1.554(9) Å, r(C-Br) = 1.951(8) Å, ∠CCBr = 114.2.degree.(0.8), ∠CCH = 111.7.degree.(3.2). D and S have a tetrahedral arrangement of C atoms and all-staggered (1:2) conformations which do not possess parallel (1:3) Br···Br interactions. Torsional force constants and vibrational frequencies for both conformers were estimated The composition at 140° is 42(2) % of S and 58(2) % of D. As predicted by the mol.-mechanics calculations, conformers possessing parallel (1:3) Br···Br interactions are not present in detectable amounts To a large extent the structural parameters obtained by the mol.-mechanics calculations reasonably agree with the exptl. results.
Different reactions of this compound(Pentaerythrityltetrabromide)Name: Pentaerythrityltetrabromide require different conditions, so the reaction conditions are very important.
Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem