New Journal of Chemistry,
Journal Year:
2022,
Volume and Issue:
46(13), P. 6126 - 6133
Published: Jan. 1, 2022
Rh-Catalyzed
regioselective
cascade
C–H
activation/annulation/1,6-acyl
migration
of
N
-acetanilides
with
alkynes
via
C–C/C–N/C–O
bond
formation
is
developed.
The Journal of Organic Chemistry,
Journal Year:
2023,
Volume and Issue:
88(7), P. 4494 - 4503
Published: March 27, 2023
The
mechanism
of
the
rhodium-catalyzed
C-H
alkenylation/directing
group
migration
and
[3+2]
annulation
N-aminocarbonylindoles
with
1,3-diynes
has
been
investigated
DFT
calculations.
On
basis
mechanistic
studies,
we
mainly
focus
on
regioselectivity
1,3-diyne
inserting
into
Rh-C
bond
N-aminocarbonyl
directing
involved
in
reactions.
Our
theoretical
study
uncovers
that
undergoes
a
stepwise
β-N
elimination
isocyanate
reinsertion
process.
As
studied
this
work,
finding
is
also
applicable
to
other
relevant
Additionally,
role
Na+
versus
Cs+
cyclization
reaction
probed.