Molecules,
Год журнала:
2024,
Номер
29(15), С. 3693 - 3693
Опубликована: Авг. 4, 2024
Brønsted
acid-catalysed/mediated
reactions
of
the
2-alkynylanilines
are
reported.
While
metal-catalysed
these
valuable
building
blocks
have
led
to
establishment
robust
protocols
for
selective,
diverse-oriented
syntheses
significant
heterocyclic
derivatives,
we
here
demonstrate
practical
advantages
an
alternative
methodology
under
metal-free
conditions.
Our
investigation
into
key
factors
influencing
product
selectivity
in
reveals
that
different
reaction
pathways
can
be
directed
towards
formation
diverse
products
by
simply
choosing
appropriate
The
origins
chemo-
and
regioselectivity
switching
been
explored
through
Density
Functional
Theory
(DFT)
calculations.
Synlett,
Год журнала:
2023,
Номер
35(13), С. 1488 - 1499
Опубликована: Сен. 26, 2023
Abstract
In
this
Account,
we
summarize
the
development
of
a
new
strategy
for
streamlined
synthesis
tetrahydropyran-embedded
macrolactones
and
its
successful
implementation
to
13-step
(–)-exiguolide
an
11-step
(+)-neopeltolide.
1
Introduction
2
Development
Macrocyclization/Transannular
Pyran
Cyclization
Strategy
3
Total
Synthesis
(–)-Exiguolide
4
(+)-Neopeltolide
5
Conclusions
Reactions,
Год журнала:
2023,
Номер
4(4), С. 779 - 800
Опубликована: Дек. 2, 2023
One-pot
reactions
offer
advantages
like
easy
automation,
higher
product
yields,
minimal
waste
generation,
operational
simplicity,
and
thus
reduced
cost,
time
energy.
This
review
presents
a
comprehensive
overview
of
one-pot
including
triethyl
orthoformate
amines
as
valuable
efficient
reagents
for
carrying
out
two-,
three-
or
four-component
organic
reactions.
International Journal of Quantum Chemistry,
Год журнала:
2024,
Номер
124(12)
Опубликована: Июнь 12, 2024
Abstract
This
study
shows
the
exploration
of
gas‐sensing
capabilities
C
6
N
8
material
against
toxic
gases
like
phosphine
(PH
3
)
and
phosphorous
trichloride
(PCl
).
First‐principles
based
on
M05‐2X/LanL2DZ
(d,
p)
method
was
performed
to
investigate
interaction
energy
(
E
int.
),
frontier
molecular
orbitals
(FMOs),
natural
bonding
orbital
(NBO),
noncovalent
interactions
(NCIs),
partial
density
states
(PDOS),
electrostatic
potential
(MEP),
quantum
theory
atoms
in
molecules
(QTAIM)
analyses.
The
results
showed
that
PCl
@C
(−23.45
kJ/mol)
is
more
stable
than
PH
(−14.79
kJ/mol).
A
considerable
decrease
HOMO‐LUMO
band
gap
observed
as
a
result
its
complexation
with
analytes.
QTAIM
NCI
analyses
indicated
presence
weak
between
SAPT0
analysis
quantify
NCIs.
MEP
maps
complexes
revealed
localization
electronic
.
little
recovery
time
(determined
at
300
K)
can
serve
reusable
sensing
Our
demonstrate
surface
reliable
for
detecting
gases.
Molecules,
Год журнала:
2024,
Номер
29(15), С. 3693 - 3693
Опубликована: Авг. 4, 2024
Brønsted
acid-catalysed/mediated
reactions
of
the
2-alkynylanilines
are
reported.
While
metal-catalysed
these
valuable
building
blocks
have
led
to
establishment
robust
protocols
for
selective,
diverse-oriented
syntheses
significant
heterocyclic
derivatives,
we
here
demonstrate
practical
advantages
an
alternative
methodology
under
metal-free
conditions.
Our
investigation
into
key
factors
influencing
product
selectivity
in
reveals
that
different
reaction
pathways
can
be
directed
towards
formation
diverse
products
by
simply
choosing
appropriate
The
origins
chemo-
and
regioselectivity
switching
been
explored
through
Density
Functional
Theory
(DFT)
calculations.
