ACS Catalysis,
Journal Year:
2024,
Volume and Issue:
unknown, P. 907 - 916
Published: Dec. 30, 2024
Catalytic
reactions
involving
1,n-metal
migration
provide
a
powerful
approach
for
the
synthesis
of
complex
molecular
skeletons
from
simple
precursors
through
activation
unreactive
bonds.
In
this
work,
nickel-catalyzed
3,3-disubstituted
1-silaindanes,
silicon
analogues
valuable
indanes,
was
developed
by
reaction
1,5-nickel
via
C–H
bond
and
1,4-nickel
C–Si
activation.
It
found
that
not
only
enabled
at
remote
position
but
also
controlled
regioselectivity
subsequent
alkene
insertion.
The
detailed
mechanism
investigated
conducting
deuterium
labeling
experiments
DFT
calculations.
results
obtained
here
demonstrate
high
potential
catalytic
nickel
migrations
activations
useful
cyclic
organosilicon
compounds.
Journal of the American Chemical Society,
Journal Year:
2024,
Volume and Issue:
146(28), P. 18823 - 18830
Published: July 1, 2024
The
catalytic
regio-
and
enantioselective
hydrocarboxylation
of
alkenes
with
carbon
dioxide
is
a
straightforward
strategy
to
construct
enantioenriched
α-chiral
carboxylic
acids
but
remains
big
challenge.
Herein
we
report
the
first
example
highly
enantio-
site-selective
remote
wide
range
readily
available
unactivated
abundant
renewable
CO
ACS Catalysis,
Journal Year:
2024,
Volume and Issue:
unknown, P. 18457 - 18468
Published: Dec. 3, 2024
The
conventional
approach
to
developing
asymmetric
synthetic
methods
relies
heavily
on
empirical
optimization.
However,
the
integration
of
artificial
intelligence
(AI)
and
high-throughput
experimentation
(HTE)
technology
presents
a
paradigm
shift
with
immense
potential
revolutionize
discovery
optimization
reactions.
In
this
study,
we
present
an
efficient
workflow
for
development
series
nickel-catalyzed
cross-coupling
reactions,
leveraging
AI
HTE
technology.
Many
enantioselective
reactions
share
common
Ni(III)
intermediate,
which
dictates
enantioselectivity.
To
harness
mechanistic
insight,
embarked
predictive
model
coupling
elucidating
general
rules
governing
Through
application
data
science
tools
technology,
curated
set
construct
AI-based
model.
This
was
subsequently
utilized
facilitate
nickel
hydride-catalyzed
regioselective
Employing
AI-assisted
virtual
ligand
screening
HTE-enabled
condition
optimization,
successfully
identified
optimal
ligands
eight
Consequently,
chiral
sp3
C–C
bonds
were
synthesized
high
yield
ACS Catalysis,
Journal Year:
2024,
Volume and Issue:
unknown, P. 907 - 916
Published: Dec. 30, 2024
Catalytic
reactions
involving
1,n-metal
migration
provide
a
powerful
approach
for
the
synthesis
of
complex
molecular
skeletons
from
simple
precursors
through
activation
unreactive
bonds.
In
this
work,
nickel-catalyzed
3,3-disubstituted
1-silaindanes,
silicon
analogues
valuable
indanes,
was
developed
by
reaction
1,5-nickel
via
C–H
bond
and
1,4-nickel
C–Si
activation.
It
found
that
not
only
enabled
at
remote
position
but
also
controlled
regioselectivity
subsequent
alkene
insertion.
The
detailed
mechanism
investigated
conducting
deuterium
labeling
experiments
DFT
calculations.
results
obtained
here
demonstrate
high
potential
catalytic
nickel
migrations
activations
useful
cyclic
organosilicon
compounds.
