1-Fluoroanthracene

Base Information

• Chemical Name: 1-Fluoroanthracene
• CAS No.: 7651-80-1
• Molecular Formula: C14H9F
• Molecular Weight: 196.22000
• DSSTox Substance ID: DTXSID30517257
• Nikkaji Number: J880.692F
• Wikidata: Q72479057
• Mol file: 7651-80-1.mol

Synonyms:1-fluoroanthracene;7651-80-1;fluoranthracene;Fluoroanthracene;SCHEMBL5179135;DTXSID30517257;JBYLHICABMOUQN-UHFFFAOYSA-N;AKOS006276324

Chemical Property of 1-Fluoroanthracene

Chemical Property:

• Refractive Index: 1.5678 (estimate)
• Boiling Point: 341oC
• Flash Point: 130oC
• PSA: 0.00000
• Density: 1.212
• LogP: 4.13210
• Water Solubility.: 0.26mg/L(temperature not stated)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.068828449
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%Min ^*data from raw suppliers

1-FLUOROANTHRACENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3F

Technology Process of 1-Fluoroanthracene

There total 12 articles about 1-Fluoroanthracene 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: 90.0%

iodobenzene (591-50-4) + 2-fluoro-6-methylbenzaldehyde (117752-04-2) → 1-fluoroanthracene (7651-80-1)

Guidance literature:

With trifluorormethanesulfonic acid; palladium diacetate; silver trifluoroacetate; acetic acid; glycine; at 100 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2019.06.036

Reference yield: 83.0%

2-benzyl-6-fluorobenzaldehyde → 1-fluoroanthracene (7651-80-1)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.1039/c6cc07199f

Reference yield: 76.0%

1-bromoanthracene (7397-92-4) + N-fluorobis(benzenesulfon)imide (133745-75-2) → 9-fluoroanthracene (C6 H4 (CH)(CF)C6 H4) + 1-fluoroanthracene (7651-80-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; diethyl ether;

upstream raw materials:

1-aminoanthracene

1-fluoro-9,10-anthraquinone

1-chloroanthracene-9,10-dione

1-bromoanthracene

Downstream raw materials:

dibenzo[a,c]naphthacene

1-methoxyanthracene

1-fluoro-9,10-anthraquinone

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