1,4-Difluoroanthracene

Base Information

• Chemical Name: 1,4-Difluoroanthracene
• CAS No.: 28736-47-2
• Molecular Formula: C14H8F2
• Molecular Weight: 214.214
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20702574
• Nikkaji Number: J88.572J
• Wikidata: Q82634506
• Mol file: 28736-47-2.mol

Synonyms:1,4-Difluoroanthracene;28736-47-2;DTXSID20702574

Chemical Property of 1,4-Difluoroanthracene

Chemical Property:

• PSA: 0.00000
• LogP: 4.27120
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 214.05940658
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)F)F

Technology Process of 1,4-Difluoroanthracene

There total 3 articles about 1,4-Difluoroanthracene 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: 95.0%

1,4-difluoroanthracene-9,10-dione (28736-42-7) → 1,4-difluoroanthracene (28736-47-2)

Guidance literature:

With ammonium hydroxide; copper(ll) sulfate pentahydrate; zinc; In 1,4-dioxane; at 85 ℃; for 25h; Inert atmosphere;

DOI:10.3762/bjoc.16.181

Reference yield:

para-difluorobenzene (540-36-3) → 1,4-difluoroanthracene (28736-47-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminum (III) chloride / 45 h / 100 °C / Cooling with ethanol-dry ice

2: polyphosphoric acid / 2 h / 140 °C

3: zinc; copper(ll) sulfate pentahydrate; ammonium hydroxide / 1,4-dioxane / 25 h / 85 °C / Inert atmosphere

With aluminum (III) chloride; ammonium hydroxide; copper(ll) sulfate pentahydrate; zinc; In 1,4-dioxane; 1: |Friedel-Crafts Acylation / 2: |Friedel-Crafts Acylation;

DOI:10.3762/bjoc.16.181

Reference yield:

2-(2,5-difluorobenzoyl)benzoic acid → 1,4-difluoroanthracene (28736-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid / 2 h / 140 °C

2: zinc; copper(ll) sulfate pentahydrate; ammonium hydroxide / 1,4-dioxane / 25 h / 85 °C / Inert atmosphere

With ammonium hydroxide; copper(ll) sulfate pentahydrate; zinc; In 1,4-dioxane; 1: |Friedel-Crafts Acylation;

DOI:10.3762/bjoc.16.181

upstream raw materials:

1,4-difluoroanthracene-9,10-dione

para-difluorobenzene

Refernces