Basf Se Corporation

Umicore Ag & Co Kg

Matthias Arndt

Lukas J Goossen

Holger Kai Peter Jelich

Thomas Soltys

Matthias Gruenberg

Patrizia Mamone

A computer implemented method for controlling a synthesis process for a chemical or biological product, comprising the steps of at a processing device of a synthesis specification control module receiving via a communication interface a synthesis specification for the synthesis process, deriving a set of experimental requirements from the synthesis specification, receiving via the communication interface device laboratory equipment data associated with at least one laboratory equipment device deriving a set of equipment properties from the laboratory equipment data associated with at least one laboratory equipment device, comparing the set of experimental requirements with the set of equipment properties, generating control data based on the comparison providing with the processing device the control data suitable for controlling the synthesis process.

Controlling a synthesis process

The invention provides a new method for the preparation of the dimeric Pd(l) tri-tert.-butylphosphine bromide complex, characterized by the chemical formula [Pd(&#x3bc;-Br)(PBu)]. The method is based on a comproportionation reaction in which a Pd(ll) compound (&#x2550;PdBr) is reacted with a Pd(0) compound (&#x2550;Pd(PBu)) in organic solvents to yield the [Pd(&#x3bc;-Br)(PBu)]compound having the Pd atoms in the formal oxidation state +1. Unreacted PdBrmay be reused in the process. The method is straightforward and applicable for industrial scale production and provides high product yields. Further, a new process for the isomerization of allyl ethers of the general type R&#x2014;C(O)&#x2014;O&#x2014;CH(R)&#x2014;C(R)&#x2550;CHemploying the compound Pd&#x3bc;-Br)(PBu)]as a catalyst is disclosed.

Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions

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Kaiserslautern, Germany

Matthias Arndt