Chemical Reviews,
Journal Year:
2024,
Volume and Issue:
124(12), P. 7907 - 7975
Published: May 29, 2024
The
increasing
importance
of
azaheterocyclic
phosphonates
in
the
agrochemical,
synthetic,
and
medicinal
field
has
provoked
an
intense
search
development
synthetic
routes
for
obtaining
novel
members
this
family
compounds.
This
updated
review
covers
methodologies
established
since
2004,
focusing
on
synthesis
phosphonates,
which
phosphonate
moiety
is
directly
substituted
onto
to
structure.
Emphasizing
recent
advances,
classifies
newly
developed
approaches
according
ring
size
providing
information
biological
activities
whenever
available.
Furthermore,
summarizes
various
methods
formation
C–P
bonds,
examining
sustainable
such
as
Michaelis–Arbuzov
reaction,
Michaelis–Becker
Pudovik
Hirao
coupling,
Kabachnik–Fields
reaction.
After
analyzing
applications
investigated
years,
a
predominant
focus
evaluation
these
compounds
anticancer
agents
evident.
emerging
underline
versatility
potential
compounds,
highlighting
need
continued
research
expand
interesting
family.
Angewandte Chemie International Edition,
Journal Year:
2021,
Volume and Issue:
60(42), P. 22804 - 22811
Published: Aug. 9, 2021
Abstract
Asymmetric
hydrogenation
of
olefins
is
one
the
most
powerful
asymmetric
transformations
in
molecular
synthesis.
Although
several
privileged
catalyst
scaffolds
are
available,
development
for
still
a
time‐
and
resource‐consuming
process
due
to
lack
predictive
design
strategy.
Targeting
data‐driven
catalysis,
we
herein
report
standardized
database
that
contains
detailed
information
over
12000
literature
hydrogenations
olefins.
This
provides
valuable
platform
machine
learning
applications
catalysis.
Based
on
this
database,
developed
hierarchical
approach
achieve
leaning
model
using
only
dozens
enantioselectivity
data
with
target
olefin,
which
offers
useful
solution
few‐shot
problem
will
facilitate
reaction
optimization
new
olefin
substrate
catalysis
screening.
Angewandte Chemie International Edition,
Journal Year:
2023,
Volume and Issue:
62(13)
Published: Feb. 3, 2023
Industrial
manufacturing
of
ethylene
chlorohydrin
(ECH)
critically
requires
excess
corrosive
hydrochloric
acid
or
hypochlorous
with
dealing
massive
by-products
and
wastes.
Here
we
report
a
green
efficient
electrosynthesis
ECH
from
oxide
(EO)
NaCl
over
NiFe2
O4
nanosheet
anode.
Theoretical
results
suggest
that
EO
Cl
preferentially
adsorb
on
Fe
Ni
sites,
respectively,
collaboratively
promoting
the
synthesis.
A
radical-mediated
ring-opening
process
is
proposed
confirmed,
key
carbon
radical
species
are
identified
by
high-resolution
mass
spectrometry.
This
strategy
can
enable
scalable
185.1
mmol
in
1
h
92.5
%
yield
at
55
mA
cm-2
current
density.
Furthermore,
series
other
chloro-
bromoethanols
good
to
high
yields
paired
synthesis
4-amino-3,6-dichloropyridine-2-carboxylicacid
via
respectively
loading
unloading
achieved,
showing
promising
potential
this
strategy.
Angewandte Chemie International Edition,
Journal Year:
2023,
Volume and Issue:
62(11)
Published: Jan. 16, 2023
Catalytic
systems
using
a
small
amount
of
organic
photosensitizer
for
the
activation
an
inorganic
(on-demand
ligand-free)
nickel(II)
salt
represent
cost-effective
method
cross-coupling
reactions,
while
C(sp2
)-O
bond
formation
remains
less
developed.
Herein,
we
report
strategy
synthesis
phenols
with
and
photosensitizer,
which
was
identified
via
investigation
into
catalytic
activity
60
photosensitizers
consisting
various
electron
donor
acceptor
moieties.
To
examine
effect
multiple
intractable
parameters
on
photosensitizers,
machine-learning
(ML)
models
were
developed,
wherein
embedded
descriptors
representing
their
physical
structural
properties,
obtained
from
DFT
calculations
RDKit,
respectively.
The
study
clarified
that
integrating
both
DFT-
RDKit-derived
in
ML
balances
higher
"precision"
"recall"
across
wide
range
search
space
relative
to
only
one
two
descriptor
sets.
Chem,
Journal Year:
2024,
Volume and Issue:
10(7), P. 2283 - 2294
Published: July 1, 2024
Electrosynthesis
has
become
an
increasingly
popular
platform
in
modern
organic
chemistry,
possessing
distinctive
features
and
reaction
parameters
like
applied
current/potential,
electrodes,
electrolyte
systems,
cell
design.
While
these
unique
give
chemists
more
opportunities
to
control
reactivity
selectivity,
they
also
increase
the
dimensionalities
of
a
complicate
interactions
between
variables,
making
optimization
challenging.
Herein,
we
present
machine
learning
(ML)
workflow
that
leverages
physical
descriptor-based
yield
prediction
orthogonal
experimental
design
strike
delicate
balance
need
for
sampling
diversity
pursuit
improvements,
thereby
efficiently
identifying
ideal
conditions
enantioselective
palladaelectro-catalyzed
annulation
from
extensive
synthetic
space.
This
work
shows
potential
synergizing
electrochemistry
data-driven
approach
tackle
multidimensional
chemical
problems.
Microstructures,
Journal Year:
2024,
Volume and Issue:
4(3)
Published: July 24, 2024
To
address
energy
shortages
and
environmental
issues,
prioritizing
renewable
development
usage
is
crucial.
Employing
sources
for
water
electrolysis
offers
a
sustainable
method
hydrogen
generation.
Reducing
the
potential
vital
efficient
clean
conversion
storage.
Substituting
anodic
oxygen
evolution
reaction
in
conventional
production
from
with
more
thermodynamically
favorable
5-hydroxymethylfurfural
(HMF)
oxidation
can
greatly
decrease
overpotential
yield
valuable
product
2,5-furan
dicarboxylic
acid.
The
key
to
this
process
developing
effective
electrocatalysts
minimize
of
HMF
electrooxidation-hydrogen
system.
Therefore,
review
provides
comprehensive
introduction
modulation
strategies
that
affect
electronic
geometric
structure
oxidation-assisted
splitting.
encompass
heteroatom
doping,
defect
projection,
interface
engineering,
structural
design,
multi-metal
synergies.
catalysts
are
assessed
various
angles,
encompassing
characterization,
mechanisms,
electrochemical
performance.
Finally,
current
challenges
catalyst
design
promising
field
proposed.
Tetrahedron Chem,
Journal Year:
2022,
Volume and Issue:
1, P. 100012 - 100012
Published: March 1, 2022
Electrochemistry
is
quickly
entering
the
mainstream
of
synthetic
organic
chemistry.
The
diversity
new
transformations
enabled
by
electrochemistry
to
a
large
extent
consequence
unique
features
and
reaction
parameters
in
electrochemical
systems
including
redox
mediators,
applied
potential,
electrode
material,
cell
construction.
While
offering
chemists
means
control
reactivity
selectivity,
these
additional
also
increase
dimensionalities
system
complicate
its
optimization.
This
challenge,
however,
has
spawned
increasing
adoption
data
science
tools
aid
discovery
as
well
development
high-throughput
screening
platforms
that
facilitate
generation
high
quality
datasets.
In
this
Perspective,
we
provide
an
overview
recent
advances
data-science
driven
with
emphasis
on
opportunities
challenges
facing
growing
subdiscipline.
Green Chemistry,
Journal Year:
2021,
Volume and Issue:
23(16), P. 5825 - 5831
Published: Jan. 1, 2021
A
highly
efficient
synthesis
of
α-ketiminophosphonates
has
been
established
for
the
electrochemical
oxidation
α-amino
phosphonates
with
utilization
machine-learning-assisted
simultaneous
multiparameter
screening.