Electric Literature of 151-05-3, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 151-05-3, Name is 2-Methyl-1-phenylpropan-2-yl acetate, SMILES is CC(OC(C)(C)CC1=CC=CC=C1)=O, belongs to isothiazole compound. In a article, author is OHKATA, K, introduce new discover of the category.
STRUCTURE, BOND-ENERGY, AND REACTIVITY OF CYCLIC SULFURANES
A series of 10-S-3 type sulfuranes, tetraazathiapentalenes (10 a-i, 11 a-f, 12, and 17) fused with pyrimidine ring and/or pyridine ring, were prepared by oxidation of the corresponding thioureas. The restricted internal rotation of the pyrimidine ring was observed by temperature dependent H-1 NMR spectrum which gave the kinetic parameters of Delta G(298)(double dagger)=16.6 kcal/mol, Delta H-double dagger=15.9 kcal/mol, and Delta S-double dagger=-2.4 eu at 25 degrees C for the rotational barrier in 10a, The substituent effect to the kinetic data can be reasonably explained in terms of electronic balance of the N-S-N hypervalent bond or the different degree of contribution of resonance canonical structures. Comparison of the rotational barrier of 10a with that of model compounds (18 and 24) suggests that hypervalent N-S-N stabilization in 10a is more than 6 kcal/mol. Methylation of these 10-S-3 type sulfuranes (10a, 10d, and 11a) was investigated to clarify the electronic effect in these molecules. The crystal structure of the neutral symmetric sulfurane 10a reveals to be a planar molecule in which the sulfur atom was found to be in the same plane of the two pyrimidine rings. The S-N bond lengths 1.948(3) and 1.938(3) Angstrom are longer than the sum of the covalent bond radii, consistent with a bond order less than unity. The crystal structures of the dicationic symmetric sulfurane 17 and the unsymmetrical sulfurane 11a also show to be planar molecules. The S-N distances in 11a were different each other due to the electronic imbalance between the apical ligands. Semi-empirical calculation (AM 1) of these systems (10a and 17) indicate the expected electronic features of the hypervalent molecules (10-S-3 sulfuranes) and the small contribution of pi-overlapping in the N-S-N bonds.
Electric Literature of 151-05-3, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 151-05-3.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com