Get Up to Speed Quickly on Emerging Topics: 96-13-9

There is still a lot of research devoted to this compound(SMILES：OCC(Br)CBr)Recommanded Product: 2,3-Dibromo-1-propanol, and with the development of science, more effects of this compound(96-13-9) can be discovered.

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Crystal structure, characterization, Hirshfeld surface analysis and DFT studies of two [propane 3-bromo-1-(triphenyl phosphonium)] cations containing bromide (I) and tribromide (II) anions: The anion (II) as a new brominating agent for unsaturated compounds, published in 2019-11-05, which mentions a compound: 96-13-9, mainly applied to phosphonium tribromide brominating agent crystal structure stability alkene bromination, Recommanded Product: 2,3-Dibromo-1-propanol.

In this study, propane 3-bromo-1- (tri-Ph phosphonium) bromide, I, and propane 3-bromo-1- (tri-Ph phosphonium) tribromide, II, (II as a new brominating agent) were synthesized and characterized by 1H NMR, 13C NMR, 31P NMR, FT-IR, spectroscopy, Thermogravimetric Anal., DTA, Differential scanning calorimetry and single crystal X-ray anal. D. functional theory calculations (energy, structural optimization and frequencies, Natural Bond Orbital, absorption energy and binding energy) were performed by using B3LYP/6-311 G++ (d, p) level of theory. Hirshfeld surface anal. and fingerprint plots were utilized to investigate the role of bromide and tribromide anions on the crystal packing structures of title compounds The results revealed that the change of accompanying anionic moiety can affect the directional interactions of C-H···Br hydrogen bonds between anionic and cationic units in which the H···Br with a proportion of 53.8% and 40.9% have the major contribution in the stabilization of crystal structures of I and II, resp. Furthermore, the thermal stability of new brominating agent II with tribromide anion was compared with compound I with bromide anion. Nontoxicity, short reaction time, thermal stability, simple working up and high yield are some of the advantages of these salts.

There is still a lot of research devoted to this compound(SMILES：OCC(Br)CBr)Recommanded Product: 2,3-Dibromo-1-propanol, and with the development of science, more effects of this compound(96-13-9) can be discovered.

Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem