Iodine-Catalyzed Amination of Benzoxazoles: A Metal-Free Route to 2-Aminobenzoxazoles under Mild Conditions

A facile metal-free route of oxidative amination of benzoxazole by activation of C-H bonds with secondary or primary amines in the presence of catalytic iodine in aqueous tert-butyl hydroperoxide proceeds smoothly at ambient temperature under neat reaction condition to furnish the high yield of the aminated product. This user-friendly method to form C-N bonds produces tertiary butanol and water as the byproduct, which are environmentally benign. The application of the methodology is demonsrated by synthesizing therapeutically active benzoxazoles.

River water quality response under hypothetical climate change scenarios in Tunga-Bhadra river, India

Analysis of climate change impacts on streamflow by perturbing the climate inputs has been a concern for many authors in the past few years, but there are few analyses for the impacts on water quality. To examine the impact of change in climate variables on the water quality parameters, the water quality input variables have to be perturbed. The primary input variables that can be considered for such an analysis are streamflow and water temperature, which are affected by changes in precipitation and air temperature, respectively. Using hypothetical scenarios to represent both greenhouse warming and streamflow changes, the sensitivity of the water quality parameters has been evaluated under conditions of altered river flow and river temperature in this article. Historical data analysis of hydroclimatic variables is carried out, which includes flow duration exceedance percentage (e.g. Q90), single low- flow indices (e.g. 7Q10, 30Q10) and relationships between climatic variables and surface variables. For the study region of Tunga-Bhadra river in India, low flows are found to be decreasing and water temperatures are found to be increasing. As a result, there is a reduction in dissolved oxygen (DO) levels found in recent years. Water quality responses of six hypothetical climate change scenarios were simulated by the water quality model, QUAL2K. A simple linear regression relation between air and water temperature is used to generate the scenarios for river water temperature. The results suggest that all the hypothetical climate change scenarios would cause impairment in water quality. It was found that there is a significant decrease in DO levels due to the impact of climate change on temperature and flows, even when the discharges were at safe permissible levels set by pollution control agencies (PCAs). The necessity to improve the standards of PCA and develop adaptation policies for the dischargers to account for climate change is examined through a fuzzy waste load allocation model developed earlier. Copyright (C) 2011 John Wiley & Sons, Ltd.

Thermodynamics of oxide sulfate melts: The system PbO PbSO4

Activities in the PbO-PbSO4 melts at 1253 K have been measured by emf and gas-equilibration techniques. The activity of PbO was directly obtained from the emf of the solid oxide cell, Pt, Ni-NiO/CaO-ZrO2/Auo.92PbO.08, PbOx-PbSO4(1-x), Ir, Pt for 1.0 >XPbO > 0.6. The melt and the alloy were contained in closed zirconia crucibles. Since the partial pressure of SO2 gas in equilibrium with the melt and alloy was appreciable (>0.08 atm) atXPbO < 0.6, activities at lower PbO concentrations were derived from measurements of the weight gain of pure PbO under controlled gas streans of Ar + SO2 + O2. The partial and integral free energies of mixing at 1253 K were calculated and found to fit a subregular model: ΔGEPbO =X2PbSO4 {-42,450 + 20,000X2PbSO4} J mol-1 ΔGEPbO =X2pbSO {-12,450 - 20,000XPbS} J mol-1 ΔGEpbSOXPbSO4 {-32,450XPbS - 22,450XPbSO4 } J mol-1. The standard free energy of formation of liquid PbSO4 from pure liquid PbO and gaseous SO3 at 1 atm at 1253 K was evaluated as -88.02 (±0.72) kJ mol-1.

Highly efficient dialkylphosphate-mediated syntheses of hydantoins and a bicyclohydantoin under solvent-free conditions

Diversely substituted hydantoins have been synthesized by new strategy from cyanamide based precursor, that is, methyl N-cyano-N-alkyl/arylaminoacetate. Dialkylphosphates were employed as the mild reagent to hydrolyze and cyclize the substrate in one step to give quantitative yields of the desired products. Syntheses of multivalent hydantoins viz bis-hydantoin, bicyclohydantoin have potentially widened the scope and applicability of the present method. Solvent-free conditions and very easy work-up procedure make the reaction convenient and eco-friendly. Single crystal structures of some of the representative compounds are also reported. (C) 2011 Elsevier Ltd. All rights reserved.