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

Basic Information

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CAS Number

172889-26-8

Molecular Formula

C16H19N5

Molecular Weight

281.36 g/mol

Basic Physical Properties

Melting Point

205-207°C

Boiling Point

478.8°C at 760 mmHg

Flash Point

243.4°C

Solubility

Insuluble (8.7E-3 g/L) (25 ºC),

Refractive Index

1.652

SMILES

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Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C

InChI

InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)

InChIKey

ZVPDNRVYHLRXLX-UHFFFAOYSA-N

LogP

3.1389200000000015

Topological Polar Surface Area

69.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

358

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PP1
1-(tert-butyl)-3-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine-4-ylamine,
4-Amino-1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
PP1 (PP-1, AGL 1872)
PP1 (Src Inhibitor)
1H-Pyrazolo[3,4-d]pyrimidin-4-amine (1-(1,1-dimethylethyl)-3-(4-methylphenyl)
1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
4-Amino-5-(methylphenyl)-7-(t-butyl)pyrazolo-(3,4-d)pyrimidine
AGL 1872
EI 275
PP-1
Abscisic acid insensitive 2
PP 1 (enzyme inhibitor)
PP1 Base
PP1 (AGL 1872)
AGL 1872,EI 275
Src Inhibitor, PP1
1-tert-butyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PP 1
1-tert-butyl-3-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methylphenyl)-
C16H19N5
1-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLO[3,4

MDL Number

MFCD01076570

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 172889-26-8)?

1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine is a solid crystalline compound with a molecular weight of approximately 339.4 g/mol. It has low water solubility and moderate solubility in organic solvents. This compound is stable under normal conditions but may react with strong acids or bases. It is not particularly reactive but should be handled with care to avoid degradation.

How is 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 172889-26-8) typically synthesized?

1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine is typically synthesized through a multi-step process involving the condensation of 4-chloro-6-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidine with an amine. The reaction is catalyzed by a base, and the yield is around 70-80%. The method requires careful control of reaction conditions to achieve high purity.

What industries use 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 172889-26-8)?

1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine is primarily used in the pharmaceutical industry for the development of novel drugs. It also finds applications in the polymer industry for the synthesis of functional polymers and in the sensor industry for the production of chemical sensors. Its unique properties make it suitable for these industries where high performance and stability are required.

What precautions should be taken when handling 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 172889-26-8)?

When handling 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood and away from strong acids and bases. In case of a spill, it should be cleaned up immediately and proper safety data sheets (SDS) should be consulted for further guidance. Handling should be done with care to avoid inhalation or skin contact.