1199813-81-4

Basic information

• Product Name: 3(2H)-Isoquinolinone, 7-fluoro-1,4-dihydro-2-methyl-
• Synonyms: 3(2H)-Isoquinolinone, 7-fluoro-1,4-dihydro-2-methyl-;7-fluoro-2-methyl-1,2,3,4-tetrahydroisoquinolin-3-one;7-Fluoro-2-methyl-1,4-dihydro-2H-isoquinolin-3-one
• CAS NO: 1199813-81-4
• Molecular Formula: C10H10FNO
• Molecular Weight: 179.1909032
• Mol File: 1199813-81-4.mol

Chemical Properties

• Boiling Point: 317.3±42.0 °C(Predicted)
• Appearance: /
• Density: 1.210±0.06 g/cm3(Predicted)
• PKA: -0.80±0.20(Predicted)
• CAS DataBase Reference: 3(2H)-Isoquinolinone, 7-fluoro-1,4-dihydro-2-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3(2H)-Isoquinolinone, 7-fluoro-1,4-dihydro-2-methyl-(1199813-81-4)
• EPA Substance Registry System: 3(2H)-Isoquinolinone, 7-fluoro-1,4-dihydro-2-methyl-(1199813-81-4)

Safety Data

• Hazardous Substances Data: 1199813-81-4(Hazardous Substances Data)

Upstream product

• 50-00-0 formaldehyd 
• 152859-42-2 2-(4-fluorophenyl)-N-methylacetamide 

Relevant articles and documents

Process development and pilot-scale synthesis of new cyclization conditions of substituted phenylacetamides to tetrahydroisoquinoline-2-ones using Eaton's reagent

Tetrahydroisoquinoline is a ubiquitous structural framework presented in numerous pharmacologically relevant molecules. Although accessible by the Pictet-Spengler cyclization, conditions commonly used for such cyclizations are often difficult to implement on scale. Herein, we report the development of a scaleable approach utilizing Eaton's reagent for the cyclization of substituted phenylacetamide analogues to tetrahydroisoquinoline-2-one. The development, optimization, and safety hazard evaluations, which outline the benefits and ease of workup of this new process, are discussed.