{2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}acetic acid | CAS No. 872365-14-5

{2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}acetic acid

Basic Information

CAS Number

872365-14-5

Molecular Formula

C19H17F3N2O4S

Molecular Weight

426.42 g/mol

AD

Basic Physical Properties

OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)

InChIKey

GFPPXZDRVCSVNR-UHFFFAOYSA-N

LogP

3.442420000000002

Topological Polar Surface Area

89.25999999999999 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Safety Information

View Safety Information

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

  • Fevipiprant
  • 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
  • NVP-QAW039
  • QAW039
  • Fevipiprant(NVP-QAW039)
  • 2-Methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-acetic acid (ACI)
  • 2-(2-Methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
  • [1-(4-((Methane)sulfonyl)-2-trifluoromethylbenzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]acetic acid
  • QAW 039

MDL Number

MFCD22548206

FAQ

What are the physical and chemical properties of (2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid (CAS: 872365-14-5)?

The compound has a crystalline form and a molecular weight of approximately 539.68 g/mol. It is slightly soluble in water and has good solubility in organic solvents. It is reactive towards nucleophiles and can undergo various transformations. The compound is stable under neutral to slightly acidic conditions but is sensitive to strong reducing agents and bases.

How is (2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid (CAS: 872365-14-5) typically synthesized?

The compound is typically synthesized through a multi-step process involving coupling reactions, alkylation, and acylation. Commonly used catalysts include palladium-based catalysts. The yield is moderate to high, and the final product is usually obtained with good purity.

What industries use (2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid (CAS: 872365-14-5)?

This compound is used in the pharmaceutical industry for drug development, particularly in the synthesis of potential antiviral and anticancer agents. It is also explored for applications in the polymer industry for developing novel materials with specific properties.

What precautions should be taken when handling (2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid (CAS: 872365-14-5)?

When handling the compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Handling should be done in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be ventilated. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions.

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