6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | CAS No. 575484-83-2

6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Basic Information

CAS Number

575484-83-2

Molecular Formula

C13H11ClFN5O2

Molecular Weight

323.72 g/mol

AD

Basic Physical Properties

Density

1.470±0.06 g/cm3 (20 ºC 760 Torr),

O=C1NC2=NC(NC3=NC(Cl)=NC=C3F)=CC=C2OC1(C)C

InChI

InChI=1S/C13H11ClFN5O2/c1-13(2)11(21)19-10-7(22-13)3-4-8(18-10)17-9-6(15)5-16-12(14)20-9/h3-5H,1-2H3,(H2,16,17,18,19,20,21)

InChIKey

IBQYILNHUAYCHB-UHFFFAOYSA-N

LogP

2.5172000000000008

Topological Polar Surface Area

89.03 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Synonyms & References

English

  • 6-((2-Chloro-5-fluoropyrimidin-4-yl)amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
  • 6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
  • 6-(2-chloro-5-fluoropyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
  • 6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
  • AK141865
  • FT-0688598
  • LS40992
  • QC-7220

MDL Number

MFCD13182364

FAQ

What are the physical and chemical properties of 6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one (CAS: 575484-83-2)?

6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one has a crystalline form with a molecular weight of approximately 403.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and DMF. This compound is relatively stable under acidic and neutral conditions but can react with strong bases. It is used in pharmaceutical applications.

How is 6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one (CAS: 575484-83-2) typically synthesized?

6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is synthesized through a multi-step process involving the coupling of 2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one with 2-chloro-5-fluoro-4-pyrimidinamine. This reaction is typically carried out in the presence of a base and a suitable solvent. The yield is around 75-80% and the process is highly selective.

What industries use 6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one (CAS: 575484-83-2)?

6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is primarily used in the pharmaceutical industry for the synthesis of drugs. It is also utilized in sensor applications and as a precursor in semiconductor manufacturing due to its electronic properties.

What precautions should be taken when handling 6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one (CAS: 575484-83-2)?

When handling 6-[(2-Chloro-5-fluoro-4-pyrimidinyl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, it should be done in a well-ventilated area with the use of appropriate personal protective equipment (PPE) including gloves and eye protection. It should be stored in a closed container in a dry, cool, and well-ventilated area. In case of spill, it should be handled according to the safety data sheet (SDS) guidelines.

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