4-(3-Fluorophenyl)-3,4-dihydro-1(2H)-naphthalenone

Base Information

• Chemical Name: 4-(3-Fluorophenyl)-3,4-dihydro-1(2H)-naphthalenone
• CAS No.: 82101-35-7
• Molecular Formula: C₁₆H₁₃FO
• Molecular Weight: 240.277
• DSSTox Substance ID: DTXSID501228820
• Nikkaji Number: J2.374.924F
• Mol file: 82101-35-7.mol

Synonyms:DTXSID501228820;82101-35-7;4-(3-Fluorophenyl)-3,4-dihydro-1(2H)-naphthalenone

Chemical Property of 4-(3-Fluorophenyl)-3,4-dihydro-1(2H)-naphthalenone

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.095043196
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)C2=CC=CC=C2C1C3=CC(=CC=C3)F

Technology Process of 4-(3-Fluorophenyl)-3,4-dihydro-1(2H)-naphthalenone

There total 2 articles about 4-(3-Fluorophenyl)-3,4-dihydro-1(2H)-naphthalenone 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: 35.0%

fluorobenzene (462-06-6) + α-naphthol (90-15-3) → 4-(4-fluorophenyl)-3,4-dihydro-1(2H)-naphthalen-1-one (79836-47-8,79560-24-0) + 4-(m-fluorophenyl)-1-tetralone (82101-35-7)

Guidance literature:

With aluminum tri-bromide; for 7h; Title compound not separated from byproducts; Heating;

Reference yield:

fluorobenzene (462-06-6) + α-naphthol (90-15-3) → 4-(4-fluorophenyl)-3,4-dihydro-1(2H)-naphthalen-1-one (79836-47-8,79560-24-0) + 4-(o-fluorophenyl)-1-tetralone (82101-34-6) + 4-(m-fluorophenyl)-1-tetralone (82101-35-7)

Guidance literature:

aluminium trichloride; at 82 ℃; for 10h; Product distribution; AlBr₃, AlCl₃ + HCl, 22 deg C, 3 - 96h;

Reference yield:

4-(m-fluorophenyl)-1-tetralone (82101-35-7) → (1S,4R)-4-(3-Fluoro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-ol + (1R,4S)-4-(3-Fluoro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-ol + (1R,4R)-4-(3-Fluoro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-ol

Guidance literature:

With dimethylsulfide borane complex; (S)-prolinol core-containing second-generation dendrimer; In tetrahydrofuran; for 0.8h; Title compound not separated from byproducts;

DOI:10.1016/j.tetasy.2006.07.010

upstream raw materials:

fluorobenzene

α-naphthol