Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate | CAS No. 832714-46-2

Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate

Basic Information

CAS Number

832714-46-2

Molecular Formula

C21H24FN5O5S

Molecular Weight

477.52 g/mol

AD

Basic Physical Properties

CC(OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)C

InChI

InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3

InChIKey

XTRUQJBVQBUKSQ-UHFFFAOYSA-N

LogP

2.7463000000000006

Topological Polar Surface Area

116.50999999999999 Ų

Hydrogen Bond Donor/Acceptor

0 / 10

Synonyms & References

English

  • 1-Piperidinecarboxylic acid,4-[[1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-, 1-methylethyl ester
  • 1-Piperidinecarboxylic acid,4-[[1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-, 1-methylethyl e
  • APD 668
  • Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3 ,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate
  • ISOPROPYL 4-(1-(2-FLUORO-4-(METHYLSULFONYL)PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLOXY)PIPERIDINE-1-CARBOXYLATE
  • APD-668
  • APD668

MDL Number

MFCD12032117

FAQ

What are the physical and chemical properties of Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate (CAS: 832714-46-2)?

This compound is a white to off-white crystalline solid with a molecular weight of approximately 552.67 g/mol. It has poor water solubility but is soluble in organic solvents like DMSO and DMF. It is relatively stable under normal conditions but can react with strong bases. The compound can form salts and esters under certain conditions.

How is Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate (CAS: 832714-46-2) typically synthesized?

This compound is typically synthesized through a multi-step process involving the reaction of a pyrimidine derivative with an isopropyl piperidine carboxylate under metal catalysis. The synthesis involves the use of palladium or copper catalysts and requires careful control of reaction conditions to achieve high yields and selectivity.

What industries use Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate (CAS: 832714-46-2)?

This compound is primarily used in the pharmaceutical industry for the development of new drug candidates. It could also find applications in the polymer industry for the synthesis of advanced polymers and in the development of sensors and semiconductors.

What precautions should be taken when handling Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate (CAS: 832714-46-2)?

When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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