952490-01-6

Basic information

• Product Name: Propanoic acid, 2,2-diMethyl-, 4-[(4-fluoro-2-Methyl-1H-indol-5-yl)oxy]-5-Methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ester
• Synonyms: Propanoic acid, 2,2-diMethyl-, 4-[(4-fluoro-2-Methyl-1H-indol-5-yl)oxy]-5-Methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ester
• CAS NO: 952490-01-6
• Molecular Formula: C21H21FN4O3
• Molecular Weight: 396.41
• EINECS: -0
• Mol File: 952490-01-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Propanoic acid, 2,2-diMethyl-, 4-[(4-fluoro-2-Methyl-1H-indol-5-yl)oxy]-5-Methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Propanoic acid, 2,2-diMethyl-, 4-[(4-fluoro-2-Methyl-1H-indol-5-yl)oxy]-5-Methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ester(952490-01-6)
• EPA Substance Registry System: Propanoic acid, 2,2-diMethyl-, 4-[(4-fluoro-2-Methyl-1H-indol-5-yl)oxy]-5-Methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ester(952490-01-6)

Safety Data

• Hazardous Substances Data: 952490-01-6(Hazardous Substances Data)

Upstream product

• 288385-88-6 4-fluoro-2-methyl-1H-indol-5-ol 
• 872206-49-0 4-chloro-5-methylpyrrolo[1,2-f ][1,2,4]triazin-6-yl pivalate 
• 649736-31-2 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one 
• 872206-43-4 C₁₀H₁₃N₃O₂ 
• 621685-55-0 C₈H₇N₃O₂ 
• 872206-45-6 C₇H₇N₃O₂ 
• 621685-54-9 C₈H₉N₃O₂ 
• 288385-99-9 1-(2-fluoro-3-methoxy-6-nitrophenyl)propan-2-one 
• 121247-16-3 1-(2,3-difluoro-6-nitrophenyl)propan-2-one 
• 427878-70-4 ethyl 4-hydroxy-5-methylpyrrolo[2,1-f ][1,2,4]-triazine-6-carboxylate 
• 1022112-32-8 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoic acid ethyl ester 
• 872206-47-8 C₁₂H₁₅N₃O₃ 
• 771-69-7 2,3,4-trifluoronitrobenzene 

Relevant articles and documents

Commercial synthesis of a pyrrolotriazine-fluoroindole intermediate to brivanib alaninate: Process development directed toward impurity control

The development of a practical, commercial process for the preparation of 4-fluoro-2-methyl-indol-5-ol and its subsequent coupling with a pyrrolotriazine to form an advanced intermediate of the oncology therapy brivanib alaninate is described. A key aspect is the multikilogram-scale preparation of the fluoroindole intermediate from trifluoronitrobenzene and the subsequent coupling while achieving impurity minimalization. As brivanib alaninate is a high-dose drug, the synthesis of highquality API with low levels of impurities is critical.