5-Fluoro-2-Tetralone

Base Information

• Chemical Name: 5-Fluoro-2-Tetralone
• CAS No.: 548771-68-2
• Molecular Formula: C₁₀H₉FO
• Molecular Weight: 164.179
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40391308
• Wikidata: Q72477106
• Mol file: 548771-68-2.mol

Synonyms:5-Fluoro-2-Tetralone;548771-68-2;5-fluoro-3,4-dihydro-1H-naphthalen-2-one;5-FLUORO-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE;SCHEMBL8061942;DTXSID40391308;AM9370;MFCD04038614;AKOS006294644;AB17125;BS-49966;CS-0003974;FT-0657677;5-fluoranyl-3,4-dihydro-1H-naphthalen-2-one;Y11718;A830389;5-FLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE

Chemical Property of 5-Fluoro-2-Tetralone

Chemical Property:

• Vapor Pressure: 0.00582mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 273.2 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 17.07000
• Density: 1.198g/cm³
• LogP: 1.88350
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.063743068
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98%Min ^*data from raw suppliers

5-Fluoro-3,4-dihydro-1H-naphthalen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(CC1=O)C=CC=C2F

Technology Process of 5-Fluoro-2-Tetralone

There total 3 articles about 5-Fluoro-2-Tetralone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethene (74-85-1) + 3-fluorophenylacetyl chloride (458-04-8) → 7-fluoro-1,2,3,4-tetrahydronaphthalen-2-one (29419-15-6) + 5-fluoro-2-tetralone (548771-68-2)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃;

DOI:10.1021/jm00068a004

Reference yield:

(3-fluorophenyl)acetic acid (331-25-9) → 5-fluoro-2-tetralone (548771-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2 / 1.) RT, 2 h, 2.) reflux, 4 h

2: AlCl₃ / CH₂Cl₂ / 0 °C

With aluminium trichloride; oxalyl dichloride; In dichloromethane;

DOI:10.1021/jm00068a004

Reference yield:

→ 5-fluoro-2-tetralone (548771-68-2)

Guidance literature:

upstream raw materials:

ethene

3-fluorophenylacetyl chloride

(3-fluorophenyl)acetic acid

Refernces

• 1、 Pendergast,Johnson,Dickerson,Dev,Duch,Ferone,Hall,Humphreys,Kelly,Wilson. "Benzoquinazoline inhibitors of thymidylate synthase: Enzyme inhibitory activity and cytotoxicity of some 3-amino- and 3-methylbenzo[f]quinazolin- 1(2H)-ones". . p. 2279 - 2291. Retrieved 2007/10/02.