Skip to main content

1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

ADVERTISEMENT
Identification
Molecular formula
C16H17ClN4
CAS number
524680-58-8
IUPAC name
1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
State
State

At room temperature, this compound is typically found as a solid, owing to its crystalline nature and higher molecular weight.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
409.00
Boiling point (Kelvin)
682.15
General information
Molecular weight
301.79g/mol
Molar mass
301.7700g/mol
Density
1.3300g/cm3
Appearence

This compound appears as a crystalline solid, often characterized by its distinct structural features. The crystals may display a range of colors from off-white to light yellow, depending primarily on the level of impurities present.

Comment on solubility

Solubility of 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

The solubility of 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (C16H17ClN4) presents a fascinating case rooted in its structural characteristics.

Consider the following factors that influence its solubility:

  • Polarity: The presence of the chlorophenyl group and amine functional group can impart varying degrees of polarity, which may enhance solubility in polar solvents such as methanol or water.
  • Hydrophobic Interactions: The tert-butyl group contributes to hydrophobic characteristics, potentially reducing solubility in aqueous environments.
  • Hydrogen Bonding: The amine group may participate in hydrogen bonding with solvent molecules, thus influencing solubility behavior.

In general, compounds with similar structures tend to exhibit low to moderate solubility in water due to the opposing effects of hydrophobic and polar groups. As a rule of thumb, one might say:

"The more substantial the hydrophobic character, the lower the solubility in polar solvents."

Overall, predicting the exact solubility can be complex; however, the presence of both polar and nonpolar functional groups in 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine indicates a potential for **moderate solubility** in a variety of organic solvents while being less soluble in polar solvents like water.

Interesting facts

Interesting Facts about 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is a notable compound in the realm of medicinal chemistry, particularly due to its potential applications in drug development. Here are some fascinating points about this compound:

  • Biological Activity: This compound belongs to a class of molecules known for their activity against various biological targets, which can lead to the development of novel therapeutic agents.
  • Structure Complexity: The dual ring structure of pyrazolo[3,4-d]pyrimidine contributes to its unique properties, making it an interesting subject for synthesizing derivatives to study structure-activity relationships.
  • Chlorine Substitution: The presence of the 4-chlorophenyl group not only influences the electronic properties of the compound but can also affect its interactions with biological targets, enhancing its potency or selectivity.
  • Synthetic Pathways: The synthesis of this compound can involve various organic reactions, showcasing the creativity of synthetic chemists. Techniques such as cyclization reactions could be pivotal in its formation.
  • Research Potential: Studies involving this compound can lead to insights into novel treatment modalities for diseases, particularly where modulation of specific pathways could be beneficial.

In summary, 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine illustrates the convergence of complex chemistry and biological efficacy. Its multifaceted nature makes it an exemplary candidate for research, leading to potential advancements in therapeutic strategies.

Synonyms
172889-27-9
pp2
PP 2
1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
AG 1879
1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Src kinase inhibitor PP2
PP-2
4-Amino-5-(4-chlorophenyl)-7-(t-butyl)pyrazolo[3,4-d]pyrimidine
PP2 (enzyme inhibitor)
PK8JPC58XB
AG-1879
CHEMBL406845
CHEBI:78331
AGL 1879
AGL-1879
1qpe
1H-pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-
4-AMINO-3-(4-CHLOROPHENYL)-1-(T-BUTYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-tert-Butyl-3-(4-chlorophenyl)pyrazolo(3,4-d)pyrimidin-4-amine
4-Amino-3-(4-chlorophenyl)-1-(t-butyl)-1H-pyrazolo(3,4-d)pyrimidine
4few
1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-
3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1h-pyrazolo(3,4-d)pyrimidin-4-amine
PBBRWFOVCUAONR-UHFFFAOYSA-N
AG1879
Kinome_2000
2zv9
PP2 (kinase inhibitor)
BiomolKI_000052
UNII-PK8JPC58XB
PP 2 (enzyme inhibitor)
BiomolKI2_000058
cid_4878
Oprea1_738267
BMK1-F4
BSPBio_001118
KBioGR_000458
KBioSS_000458
ksc-8-108
MLS000326622
SCHEMBL375322
GTPL9404
KBio2_000458
KBio2_003026
KBio2_005594
KBio3_000855
KBio3_000856
DTXSID60274447
Bio2_000399
Bio2_000879
HMS1362H19
HMS1792H19
HMS1990H19
HMS2182N11
HMS3267H08
HMS3403H19
HMS3412O04
HMS3652L14
HMS3676O04
HMS3747M11
KUC104577N
PP2-AG1879
PP2(AGL 1879)
BCP07605
EX-A2140
PP2(AGL 1879)?
BDBM50142887
HB1335
s7008
AKOS005078101
PP2 (AG 1879)
PP2, >=98% (HPLC)
CCG-100656
CS-1663
MB01880
SDCCGSBI-0634836.P001
IDI1_002154
QTL1_000068
NCGC00163385-01
NCGC00163385-02
NCGC00163385-03
NCGC00163385-04
NCGC00163385-14
11L-313S
AC-32818
HY-13805
SMR000179218
DB-064881
NS00068457
P2833
SW220209-1
VU0205247-1
C73316
K00048
PP2 - CAS 172889-27-9
Q7120082
BRD-K95785537-001-03-3
BRD-K95785537-001-04-1
BRD-K95785537-001-10-8
BRD-K95785537-001-22-3
BRD-K95785537-001-23-1
BRD-K95785537-001-24-9
1-tert-butyl-3-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-amine
1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[3,4-d]pyrimidine
4-amino-5-(4-chlorophenyl)-7-(tert-butyl)pyrazolo[3,4-d]pyrimidine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)- (9CI)
3-(4-chlorophenyl)1-(1,1-dimethylethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
9-(4-chlorophenyl)-7-tert-butyl-3,5,8-triaza-7-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-amine