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Computationally Assisted Mechanistic Investigation and Development of Pd-Catalyzed Asymmetric Suzuki-Miyaura and Negishi Cross-Coupling Reactions for Tetra- ortho- Substituted Biaryl Synthesis.

Autor: Patel ND; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Sieber JD; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA.; Department of Chemistry, Virginia Commonwealth University, 1001 West Main St. Richmond, VA 23284-3028, USA., Tcyrulnikov S; Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323, USA., Simmons BJ; Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095, USA., Rivalti D; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA.; Department of Chemical and Life Science Engineering, Virginia Commonwealth University, 601 Main St./P.O. Box 843028, Richmond, VA 23284-3028, USA., Duvvuri K; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, OH 43210, USA., Zhang Y; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Gao DA; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Fandrick KR; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Haddad N; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Lao KS; Department of Chemistry, University of Connecticut, 55 North Eagleville Rd., Storrs, CT 06269, USA., Mangunuru HPR; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA.; Department of Chemical and Life Science Engineering, Virginia Commonwealth University, 601 Main St./P.O. Box 843028, Richmond, VA 23284-3028, USA., Biswas S; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Qu B; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Grinberg N; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Pennino S; Material and Analytical Sciences, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Lee H; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Song JJ; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA., Gupton BF; Department of Chemical and Life Science Engineering, Virginia Commonwealth University, 601 Main St./P.O. Box 843028, Richmond, VA 23284-3028, USA., Garg NK; Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095, USA., Kozlowski MC; Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323, USA., Senanayake CH; Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Rd., Ridgefield, CT 06877, USA.; Astatech BioPharmaceutical Corporation, 488 Kelin West Road, Wengjiang, Chendu, Sichuan 611130, P. R. China.

Publikováno v: ACS catalysis [ACS Catal] 2018 Nov 02; Vol. 8 (11), pp. 10190-10209. Date of Electronic Publication: 2018 Sep 20.

A Computational Investigation of the Ligand-Controlled Cu-Catalyzed Site-Selective Propargylation and Allenylation of Carbonyl Compounds.

Autor: Zou Y; Department of Chemistry, Roy and Diana Vagelos Laboratories, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States., Gutierrez O; Department of Chemistry, Roy and Diana Vagelos Laboratories, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States., Sader AC; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Patel ND; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Fandrick DR; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Busacca CA; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Fandrick KR; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Kozlowski M; Department of Chemistry, Roy and Diana Vagelos Laboratories, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States., Senanayake CH; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States.

Publikováno v: Organic letters [Org Lett] 2017 Nov 17; Vol. 19 (22), pp. 6064-6067. Date of Electronic Publication: 2017 Nov 02.

General and Stereoselective Method for the Synthesis of Sterically Congested and Structurally Diverse P-Stereogenic Secondary Phosphine Oxides.

Autor: Han ZS; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Wu H; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Xu Y; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Zhang Y; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Qu B; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Li Z; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Caldwell DR; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Fandrick KR; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Zhang L; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Roschangar F; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Song JJ; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States., Senanayake CH; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Old Ridgebury Road, P.O. Box 368, Ridgefield, Connecticut 06877, United States.

Publikováno v: Organic letters [Org Lett] 2017 Apr 07; Vol. 19 (7), pp. 1796-1799. Date of Electronic Publication: 2017 Mar 29.

Copper-Catalyzed Asymmetric Propargylation of Cyclic Aldimines.

Autor: Fandrick DR; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Hart CA; Department of Chemistry, Wayne State University , 5101 Cass Avenue, Detroit, Michigan 48202, United States., Okafor IS; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Mercadante MA; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Sanyal S; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Masters JT; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Sarvestani M; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Fandrick KR; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Stockdill JL; Department of Chemistry, Wayne State University , 5101 Cass Avenue, Detroit, Michigan 48202, United States., Grinberg N; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Gonnella N; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Lee H; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States., Senanayake CH; Chemical Development and Material and Analytical Sciences, Boehringer-Ingelheim Pharmaceuticals, Inc., 900 Old Ridgebury Road/P.O. Box 368, Ridgefield, Connecticut 06877-0368, United States.

Publikováno v: Organic letters [Org Lett] 2016 Dec 02; Vol. 18 (23), pp. 6192-6195. Date of Electronic Publication: 2016 Nov 22.