5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | CAS No. 849550-05-6

5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Basic Information

CAS Number

849550-05-6

Molecular Formula

C18H18ClF5N6O

Molecular Weight

464.83 g/mol

AD

Basic Physical Properties

Density

1.52

CNCCCOc1cc(F)c(c(c1)F)c1c(Cl)nc2n(c1N[C@H](C(F)(F)F)C)ncn2

InChI

InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1

InChIKey

ZUZPCOQWSYNWLU-VIFPVBQESA-N

LogP

4.073900000000002

Topological Polar Surface Area

76.37 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Cevipabulin
  • 5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-((1S)-2,2,2-trifluoro-1-methylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  • 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  • TTI-237
  • TTI 237
  • UNII-P14M0DWS2J

MDL Number

MFCD09832720

FAQ

What are the physical and chemical properties of 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CAS: 849550-05-6)?

5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine is typically a crystalline solid with a molecular weight of approximately 567.6 g/mol. It has a low water solubility and moderate solubility in organic solvents. The compound is known for its specific reactivity, particularly with nucleophiles and electrophiles, and it is stable under normal conditions but may decompose under basic conditions.

How is 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CAS: 849550-05-6) typically synthesized?

This compound is synthesized via a multi-step process involving the protection of a primary amine, construction of the fluorophenyl moiety, and coupling reactions. Commonly, Suzuki and Sonogashira cross-coupling reactions are used with appropriate catalysts and reagents to achieve high selectivity and yield. The use of palladium catalysts is prevalent in such syntheses.

What industries use 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CAS: 849550-05-6)?

This compound is primarily used in the pharmaceutical industry, particularly in the development of antiviral and anticancer drugs. It may also find applications in the synthesis of novel materials for sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoro-2-propanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CAS: 849550-05-6)?

Handling this compound requires the use of personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully, using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific guidance. The substance is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

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