Crystal Growth & Design,
Год журнала:
2022,
Номер
22(10), С. 5996 - 6003
Опубликована: Авг. 31, 2022
Under
ambient
conditions,
the
high-nitrogen-content
compound,
6-azido-7-methyl[1,2,4]triazolo[4,3-b]pyridazine
(C6H5N7),
favorably
crystallizes
in
form
of
two
concomitant
monohydrate
polymorphs:
α-C6H5N7·H2O
and
β-C6H5N7·H2O;
also
anhydrate
C6H7N7
is
obtained
from
acetone
solution.
High-pressure
isochoric
recrystallizations
lead
to
new
forms
these
compounds.
The
α-hydrate
can
be
reversibly
isothermally
compressed
0.6
GPa
at
least
β-hydrate
1
GPa.
However,
above
0.3
favor
α-hydrate.
This
hydrate
occurs
as
metastable
phase,
accordance
with
Ostwald
rule
stages.
Compound
C7H7N7
could
recrystallized
only
aqueous
solution
sesquihydrate
C7H7N7·1.5H2O.
molecular
packing
all
hydrates
governed
by
hydrogen
bonds
OH···N
tandem
contacts
between
azide
groups.
Organic Letters,
Год журнала:
2021,
Номер
23(16), С. 6542 - 6546
Опубликована: Авг. 9, 2021
1,2,3-Triazine
1-oxides
are
formed
by
nitrosyl
addition
from
tert-butyl
nitrite
to
the
vinylogous
position
of
vinyl
diazo
compounds.
This
transformation,
which
is
a
formal
intermolecular
[5
+
1]
cycloaddition,
occurs
under
mild
conditions,
with
high
functional
group
tolerance
and
regioselectivity,
can
be
employed
for
late-stage
functionalization.
Upon
heating
at
refluxing
chlorobenzene
temperature,
these
triazine-N-oxides
undergo
dinitrogen
extrusion
form
isoxazoles
in
very
yields.
Dalton Transactions,
Год журнала:
2022,
Номер
51(40), С. 15292 - 15299
Опубликована: Янв. 1, 2022
It
is
still
an
urgent
problem
in
the
field
of
energetic
materials
to
explore
synthesis
heat-resistant
compounds
with
balanced
energy
and
thermal
stability
through
simple
synthetic
routes.
Recently,
fused
are
considered
provide
a
promising
framework
for
construction
ideal
compounds.
In
this
study,
three
novel
C-C
bonded
bis-5,6
triazole-triazine
compounds,
3,3'-dinitro-[7,7'-bi[1,2,4]triazolo[5,1-c][1,2,4]triazine]-4,4'-diamine
(2),
4,4'-diamino-[7,7'-bi[1,2,4]triazolo[5,1-c][1,2,4]triazine]-3,3'-dicarbonitrile
(3),
3,3'-di(1H-tetrazol-5-yl)-[7,7'-bi[1,2,4]triazolo[5,1-c][1,2,4]triazine]-4,4'-diamine
(4),
were
synthesized
by
method.
Compound
2
exhibited
approaching
detonation
velocity
8837
m
s-1
compared
that
traditional
high
explosive
RDX
8795
s-1,
while
its
(Td
=
327
°C)
was
comparable
HNS
318
°C).
At
same
time,
double
compound
also
realized
density
(1.90
g
cm-3)
extremely
low
sensitivity
(FS
>
360
N,
IS
40
J).
The
above
good
comprehensive
properties
prove
can
be
used
as
potential
insensitive
high-energy
explosive.
addition,
effects
crystal
structure
on
studied
using
quantum
chemical
methods.
These
results
imply
formation
ring
closing
reaction
at
symmetrical
positions
strategy
development
advanced
explosives.
Defence Technology,
Год журнала:
2023,
Номер
31, С. 271 - 277
Опубликована: Фев. 25, 2023
The
high
energy
coordination
compounds
Cu(TZCA)2(ClO4)2
(ECCs-1)
was
prepared
by
1H-tetrazole-5-carbohydrazide
(TZCA)
with
a
skeleton
and
strong
ability
group.
At
the
same
time,
reaction
activity
of
ligand
explored,
single
crystal
structure
it
intermediate
were
obtained.
structures
all
substances
characterized
IR
EA.
And
composition
ECCs-1
are
confirmed
ESP,
AC,
SEM
ICP-OES.
Physical
chemical
properties
tests
show
that
has
an
acceptable
thermal
stability
(Td
=
177°C)
extremely
sensitive
mechanical
stimulation
(IS
1
J,
FS
5
N).
comprehensive
performance
test
results
excellent
initiation
ability.
In
addition,
decomposition
mechanism
is
explored
from
two
aspects
experiment
theoretical
calculation.
The Journal of Organic Chemistry,
Год журнала:
2024,
Номер
89(13), С. 9516 - 9520
Опубликована: Июнь 14, 2024
Two
6,5,6-fused
1,2,3-triazine-3-oxides
(4
and
6)
were
designed
synthesized
via
the
reaction
of
o-aminoamidoximes
with
sodium
nitrite.
In
addition,
ring-opening
products
(5,
7,
8)
derived
from
isolated
characterized.
A
comprehensive
exploration
mechanism
governing
process
was
performed
through
a
combination
theoretical
experimental
studies.
Notably,
compound
4
exhibited
commendable
detonation
properties
low
sensitivity,
demonstrating
its
promising
potential
as
an
energetic
material.
The Journal of Organic Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 7, 2025
Herein,
we
report
the
successful
synthesis
of
a
series
asymmetric
bistetrazole-based
energetic
compounds
(4,
8,
4a-c,
and
5a-c)
starting
from
2-(5-amino-4-nitro-1H-pyrazol-3-yl)-2H-5-cyanotetrazol
(3),
which
was
obtained
via
reaction
3,5-diamino-4-nitropyrazole
hydrochloride
with
diazoacetonitrile
using
[3
+
2]
cycloaddition
strategy.
All
newly
synthesized
displayed
superior
detonation
performances,
particularly
2'-(5-amino-4-nitro-1H-pyrazol-4-yl)-2H,2'H-5,5'-bistetrazole
(4),
exhibited
exceptional
overall
performances.
These
findings
underscore
potential
bistetrazole
derivatives
as
promising
candidates
for
development
advanced
materials.
Heat-resistant
energetic
compounds
are
of
great
importance
in
the
field
material
chemistry.
Here,
we
report
a
practical
synthesis
series
fused-ring
via
combination
1,2,3-triazine
N-oxide
and
2,4,6-trinitroaniline
moieties.
Starting
from
known
compound
4,6-diamino-2-chloropyrimidine-5-carbonitrile
(1),
nucleophilic
substitution
followed
by
one-step
nitration
introduced
three
nitro
groups
onto
benzene
ring
moiety,
simultaneously.
The
resulting
4-7
exhibited
high
decomposition
temperature
(Td
>
250
°C)
as
well
relatively
good
detonation
properties
low
sensitivities.
