2-Methyl-2-propanyl 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinecarboxylate | CAS No. 1698027-20-1

2-Methyl-2-propanyl 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinecarboxylate

Basic Information

CAS Number

1698027-20-1

Molecular Formula

C17H19BrClFN4O2

Molecular Weight

445.72 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCN(CC1)C1N=CN=C2C(F)=C(Br)C(Cl)=CC=12

InChI

InChI=1S/C17H19BrClFN4O2/c1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15/h8-9H,4-7H2,1-3H3

InChIKey

WKUMTSOYOFGRSM-UHFFFAOYSA-N

LogP

4.241900000000004

Topological Polar Surface Area

58.56 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

516

Synonyms & References

English

  • ARS-1620 Intermediate
  • tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
  • AMY16851
  • SB40410
  • CC(C)(C)OC(=O)N1CCN(CC1)c1ncnc2c(F)c(Br)c(Cl)cc12

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinecarboxylate (CAS: 1698027-20-1)?

The compound has a crystalline form with a molecular weight of approximately 532.04 g/mol. It is moderately soluble in common organic solvents like DMSO and acetonitrile. Chemically, it is reactive towards nucleophiles and electrophiles, showing good reactivity under mild conditions. It can form stable complexes with certain metal ions.

How is 2-Methyl-2-propanyl 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinecarboxylate (CAS: 1698027-20-1) typically synthesized?

This compound is typically synthesized via a multi-step process involving the condensation of 2-methyl-2-propanol with 7-bromo-6-chloro-8-fluoro-4-quinazoline, followed by the coupling of the resulting intermediate with 1-piperazinecarboxylic acid. The reaction is catalyzed by a suitable organic acid and proceeds under mild conditions with high yield.

What industries use 2-Methyl-2-propanyl 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinecarboxylate (CAS: 1698027-20-1)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It may also find applications in materials science, specifically in the production of advanced polymers with tailored properties, and in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinecarboxylate (CAS: 1698027-20-1)?

When handling this compound, it is essential to wear proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.

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