ACS GCI Pharmaceutical Roundtable

ACS GCI Pharmaceutical Roundtable—Catalyzing green chemistry & engineering in the global pharmaceutical industry.

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2017

Written by Hybrid1 on . Posted in ACS GCI Pharmaceutical Roundtable publications

Sustainable Practices in Medicinal Chemistry Part 2: Green by Design
J. Med. Chem. 2017, 60, 5955-5968. DOI: 10.1021/acs.jmedchem.6b01837

Green Chemistry Articles of Interest to the Pharmaceutical Industry
Org. Process Res. Dev. 2017, 21 (10), 1464-1477. DOI: 10.1021/acs.oprd.7b00292

Green Chemistry Articles of Interest to the Pharmaceutical Industry
Marian C. Bryan, Louis Diorazio, Zhongbo Fei, Kenneth Fraunhoffer, John Hayler, Matthew Hickey, Shaun Hughes, Luke Humphreys, Paul Richardson, Markus Schober, Alan Steven, Timothy White, Stijn Wuyts, Jingjun Yin. Org. Process Res. Dev. 2017, 21 (2), 153–164. DOI: 10.1021/acs.oprd.7b00014

A Deeper Shade of Green: Inspiring Sustainable Drug Manufacturing
Green Chem., 2017, 19, 281-285. DOI:10.1039/C6GC02901A

PMI Prediction Tool

Written by Hybrid1 on . Posted in Tools Development

The Process Mass Intensity (PMI) Prediction Calculator was created by the ACS GCI Pharmaceutical Roundtable member companies, with leadership from Bristol-Myers Squibb, to predict a range of probable process efficiencies of proposed synthetic routes at various phases of drug development. The tool uses historical PMI data from multiple pharmaceutical companies and predictive analytics (Monte Carlo simulations) to estimate the probable PMI ranges. The tool can be used to predict PMI prior to any laboratory evaluation of the route; i.e., as an in-silico modeling effort, or at any other stage of a molecule’s development to assess and compare potential route changes.

PMI Prediction Calculator »

Team Lead

Alina Borovika, Bristol-Myers Squibb

Goal

Develop online application for PMI Prediction Calculator

Projects

PMI Prediction Calculator Development

The team has developed the tool which is powered by a database of about 2,000 data points collected by the Roundtable. Annual data collection to fil in underpopulated reaction subtypes

Paper

Collaboration with Prof. Waller on CASP/PMI

2015

Written by Hybrid1 on . Posted in ACS GCI Pharmaceutical Roundtable grants

A. John Blacker, Ph.D., University of Leeds, $50,000
“Process Development of Continuous Flow Oxidative Biotransformations”

Graham Dobereiner, Ph.D., Temple University, $50,000
“Tandem catalytic process in flow: synthesis of amides via mild photochemical carbonylation using CO2 as a carbonyl source”

Amanda C. Evans, Ph.D., California State University, $50,000
“Enz-Flow/Continuous Bioprocessing: Towards a green continuous flow synthesis of levomilnacipran”

2014

Written by Hybrid1 on . Posted in ACS GCI Pharmaceutical Roundtable grants

Matthias Beller, Leibniz-Institut für Katalyse, $50,000
“Hydrogenation of Amides promoted by Ru- and Fe-Pincer Complexes—Ligand-Metal Cooperative Catalysis for the Mild and Selective Synthesis of Amines”

Neal Mankad, University of Illinois at Chicago, $100,000
“Bimetallic Approach to Iron-Catalyzed Coupling Reactions”

2013

Written by Hybrid1 on . Posted in ACS GCI Pharmaceutical Roundtable grants

Paul Chirik, Princeton University, $100,000
“Modern Alchemy: New Paradigms for Enabling Base Metal-Catalyzed Cross-Coupling in the Pharmaceutical Industry”

Daniel Weix, University of Rochester, $50,000
“Direct Synthesis of Alkylated Arenes and Heteroarenes from the Cross-Coupling of Heteroaromatic Halides in Non-Amide Solvents”

Janet Scott, University of Bath, $100,000
“Intelligent Selection of Greener Solvents”