104761-50-4

Basic information

• Product Name: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)carbonyl]benzoic acid
• CAS NO: 104761-50-4
• Molecular Formula: C₁₈H₁₅FO₃
• Molecular Weight: 298.3083
• Mol File: 104761-50-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 536.5°C at 760 mmHg
• Flash Point: 278.2°C
• Density: 1.29g/cm³
• Vapor Pressure: 2.44E-12mmHg at 25°C
• Refractive Index: 1.606
• CAS DataBase Reference: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)carbonyl]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)carbonyl]benzoic acid(104761-50-4)
• EPA Substance Registry System: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)carbonyl]benzoic acid(104761-50-4)

Safety Data

• Hazardous Substances Data: 104761-50-4(Hazardous Substances Data)

Upstream product

• 104761-48-0 C₁₀H₁₀BrN₂⁽¹⁺⁾*BF₄^(1-) 
• 104761-46-8 4-Bromo-5,6,7,8-tetrahydro-naphthalen-1-ylamine; hydrochloride 
• 85-44-9 phthalic anhydride 
• 104761-49-1 1-bromo-4-fluoro-5,6,7,8-tetrahydronaphthalene 

Downstream Products

• 104761-51-5 2-<(4-fluoro-5,6,7,8-tetrahydro-1-naphthalenyl)methyl>benzoic acid 

Relevant articles and documents

The 5-, 6-, and 10-Fluoro-1,2,3,4-tetrahydro-7,12-dimethylbenzanthracenes. Comparative Acid-Catalyzed Isomerization to Exo Methylene Tautomers: A 6-Fluoro Peri Effect

Syntheses for 5-, 6-, and 10-fluoro-1,2,3,4-tetrahydro-7,12-dimethylbenzanthracenes (3-5) from an aminotetralin-HCl 6, fluorotetralin 14, and tetrahydronaphthaldehyde 29, respectively, are described.Comparative acid-catalyzed isomerization studies in refluxing benzene revealed that the 6-F analogue 4 equilibrates with 12- and 7-methylene tautomers 20 and 21 within 1 h.When the 12-methylene tautomer 20 was treated with p-toluenesulfonic acid in refluxing benzene the thermodynamic product ratio (4/20/21 = 1.0:0.6:2.8) was obtained after 72 h.These data are markedlydifferent than results observed for acid-catalyzed isomerization of 1,2,3,4-tetrahydro-7,12-dimethylbenzanthracene (TH-DMBA, 1), 5F-TH-DMBA (3) or 10F-TH-DMBA (5) which after 72 h only afforded aryl to 7-methylene isomer ratios of 14:1, 8:1 and 8:1, respectively.The additional peri interaction between the 7-CH3 and 6-F functions of 4 serves as explanation for the facile acid-catalyzed isomerization of 4 to the sterically least crowded, thermodynamically more stable 7-methylene tautomer 21.