The invention describes phospho-amino pincer-type ligands, metal complexes thereof, and catalytic methods comprising such metal complexes.

The present invention provides a class of catalyst compounds that can safely and effectively release hydrogen gas from a chemical substrate without producing either noxious byproducts or byproducts that will deactivate the catalyst. The present invention provides catalysts used to produce hydrogen that has a satisfactory and sufficient lifespan (measured by turnover number (TON)), that has stability in the presence of moisture, air, acid, or impurities, promote a rapid reaction rate, and remain stable under the reaction conditions required for an effective hydrogen production system. Described herein are compounds for use as catalysts, as well as methods for producing hydrogen from formic acid and/or a formate using the disclosed catalysts. The methods include contacting formic acid and/or a formate with a catalyst as described herein, as well as methods of producing formic acid and/or a formate using the disclosed catalyst and methods for generating electricity using the catalysts described herein.

Methods and compositions for the catalytic oxidation of pharmaceutically active compounds, and more particularly to ex vivo methods for predicting in vivo metabolism of pharmaceutically active compounds, including predicting in vivo interaction between two or more pharmaceutically active compounds.

The invention relates to a novel method for synthesising aldehyde-terminated pheromones according to the reaction: Where R is a linear aliphatic chain of formula CnH2n?2P+i where n is a natural number greater than or equal to 9 and p is an integer between 1 and 4. This method is characterised in that it is carried out continuously in a polar solvent in the presence of a copper-based catalytic system under an air pressure of more than 1 bar and at a temperature of between 30 and 200? C.

A catalyst system includes a complex having formula I which advantageously has a sterically protecting N-heterocyclic carbene (NHC) carbene-pyridine ligand to handle harsh reactions conditions than many prior art catalysts: ##STR00001##
wherein M is a transition metal; o is 0, 1, 2, 3, or 4; R.sub.1 is a C.sub.1-6 alkyl, a C.sub.6-18 aryl, or an optionally substituted C.sub.5-18 heteroaryl. In a refinement, R.sub.1 is methyl, ethyl, butyl, n-propyl, isopropyl, n-butyl, sec-butyl, or t-butyl; R.sub.2, R.sub.3, R.sub.3 are independently an optionally substituted C.sub.1-6 alkyl, halo (e.g., Cl, F, Br, etc), NO.sub.2, an optionally substituted C.sub.6-18 aryl, or an optionally substituted C.sub.5-18 heteroaryl; R.sub.4, R.sub.4 are independently an optionally substituted C.sub.1-6 alkyl, halo, NO.sub.2, an optionally substituted C.sub.6-18 aryl, or an optionally substituted C.sub.5-18 heteroaryl; and X.sup. is a negatively charge counter ion and L.sub.1, L.sub.2 are each independently a neutral ligand.

Iron-based homogeneous catalysts, supported by pincer ligands, are employed in the catalytic dehydrocoupling of ethanol to produce ethyl acetate and hydrogen. As both ethanol and ethyl acetate are volatile materials, they can be readily separated from the catalyst by applying vacuum at room temperature. The hydrogen by-product of the reaction may be isolated and utilized as a feedstock in other chemical transformations.

A process for preparing a variety of secondary and tertiary alkyl formate esters via the coupling of methanol and secondary (or tertiary) alcohols. Iron-based catalysts, supported by pincer ligands, are employed to produce these formate esters in high yields and unprecedentedly high selectivities (>99%). Remarkably, the coupling strategy is also applicable to bulkier tertiary alcohols, which afford corresponding tertiary formate esters in moderately high yields and high selectivities.

Iron-based homogeneous catalysts, supported by pincer ligands, are employed in the catalytic dehydrocoupling of methanol to produce methyl formate and hydrogen. As both methanol and methyl formate are volatile materials, they can be readily separated from the catalyst by applying vacuum at room temperature. The hydrogen by-product of the reaction may be isolated and utilized as a feedstock in other chemical transformations.

A formic acid decomposition catalyst system includes organometallic complexes having formula 1: ##STR00001## wherein: M is a transition metal; E is P, N, or C (as in imidazolium carbene); R.sub.1, R.sub.2 are independently C.sub.1-6 alkyl groups; o is 1, 2, 3, or 4; R.sub.3 are independently hydrogen, C.sub.1-6 alkyl groups, OR.sub.14, NO.sub.2, halogen; R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, R.sub.9, R.sub.10, R.sub.11, R.sub.12, R.sub.13, R.sub.15, R.sub.16 are independently hydrogen or C.sub.1-6 alkyl groups; R.sub.14 is a C.sub.1-6 alkyl group; and X.sup. is a negatively charge counter ion.

The present application discloses novel PWNN and PWNWP metal catalysts for organic chemical syntheses including hydrogenation (reduction) of unsaturated compounds or dehydrogenation of substrates. The range of hydrogenation substrate compounds includes esters, lactones, enals, enones, enolates, oils and fats, resulting in alcohols, enols, diols, and triols as reaction products. The catalysts of current application can be used to catalyze a hydrogenation reaction under solvent free conditions. The present catalysts also allow the hydrogenation to proceed without added base, and it can be used in place of the conventional reduction methods employing hydrides of the main-group elements. Furthermore, the catalysts of the present application can catalyze a dehydrogenation reaction under homogenous and/or acceptorless conditions. As such, the catalysts provided herein can be useful in substantially reducing cost and improving the environmental profile of manufacturing processes for a variety of chemicals.