1
Supplemental Information
Pd-Catalyzed Suzuki Coupling Reactions of Aryl Halides
Containing Basic Nitrogen Centers with Arylboronic Acids in Water
in the Absence of Added Base
Zhao Li,
a
Carol Gelbaum,
a
Zachary S. Campbell,
b
Paul C Gould,
a
Jason S. Fisk,
c
Bruce Holden,
c
Arvind Jaganathan,
d
Gregory T. Whiteker,
d
Pamela Pollet,
a
and Charles L. Liotta*
,a,b
a
School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia
30332, USA
b
School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta,
Georgia 30332, USA
c
The Dow Chemical Company, Midland, Michigan 48674, USA
d
Dow AgroSciences, Indianapolis, Indiana 46268, USA
Content
Page
S1 Comparison of reaction yields determined by various analytical methods employing 2-
amino-6-chloropyridine as a model substrate………………………………………………… 2
S2 Experimental procedure……………………………………………………………………… 3
S3 GC analysis…………………………………………………………………………………… 4
S4 NMR analysis………………………………………………………………………………… 6
S5 Isolation of product…………………………………………………………………………… 7
S6 Comparison of the yields determined by GC-FID and
1
H NMR for the aryl bromides and
aryl chlorides from Table 1 in the main manuscript. ………………………………………… 8
S7 Comparison of the yields determined by GC-FID and
1
H NMR for the aryl chlorides from
Table 3 in the main manuscript……………………… ……………………………………… 9
S8 Comparison of the yields determined by GC-FID and
1
H NMR for the arylboronic acids
from Table 5 in the main manuscript………………………………………………………… 10
S9 Suzuki reactions in buffered acidic media: the Pd(OAc)2–PtB catalyzed Suzuki reaction of
4-chlorobenzyl amine with PhB(OH)2 in phosphate-buffered acidic solutions……………… 12
S10 The ligand-free Pd(OAc)2 catalyzed Suzuki reaction of 4-amino-2-chloropyridine with
PhB(OH)2 in phosphate-buffered acidic solutions…………………………………………… 13
S11 The ligand-free Pd(OAc)2 catalyzed Suzuki reaction of 4-amino-2-bromopyridine with
PhB(OH)2 in phosphate-buffered acidic solutions…………………………………………… 14
S12
1
H and
13
C NMR spectra of synthesized compounds and isolated products………………… 15
S13 Mass spectral spectra of isolated products…………………………………………………… 47
S14 NMR spectroscopic data for the products (5-7) that have not been successfully isolated…… 77
Electronic Supplementary Material (ESI) for New Journal of Chemistry.
This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017