Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more. Application In Synthesis of Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate3130-19-6, Name is Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate, SMILES is O=C(CCCCC(OCC1CC2OC2CC1)=O)OCC3CC4OC4CC3, belongs to dioxole compound. In a article, author is CORTEZ, E, introduce new discover of the category.
1,3-Dioxole, OCH2OCH=CH, has been synthesized and its far-infrared and low-frequency Raman spectra have been analyzed. The gas-phase far-infrared spectrum shows a series of eleven single-quantum-jump and three triple-quantum-jump transitions in the 40-330 cm-1 region. The low-frequency Raman spectrum exhibits eight ring-puckering transitions corresponding to DELTAupsilon = 2 or 4 transitions in the 160-300-cm-1 region. The ring-puckering potential energy function was determined to be V(cm-1) = (1.59 x 10(6))x4 – (4.18 x 10(4))x2, where x is the ring puckering coordinate in angstroms. This function indicates that the molecule is puckered with a barrier to planarity of 275 cm-1 and a bending angle of 24-degrees. The unexpected nonplanarity of 1,3-dioxole is attributed to the anomeric effect which can be present in molecules with O-C-O linkages. Molecular mechanics calculations utilizing the MM3 parametrization predict a planar structure for this molecule. However, the anomeric effect dictates that each of the =C-O-C-O torsional angles should have a strong desire to increase from 0-degrees toward 90-degrees in order to optimize n-sigma* overlap. When the MM3 force field is modified to reflect this by increasing the magnitude of the 2-fold torsional potential energy term V2 to -5.965 kcal/mol, a reasonably good agreement between the experimental and molecular mechanics potential functions can be obtained.
Application In Synthesis of Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 3130-19-6.
Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem