3-Fluoranthenebutanoic acid

Base Information

• Chemical Name: 3-Fluoranthenebutanoic acid
• CAS No.: 6886-64-2
• Molecular Formula: C20H16O2
• Molecular Weight: 288.346
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID9064500
• Wikidata: Q81991610
• Mol file: 6886-64-2.mol

Synonyms:3-Fluoranthenebutanoic acid;6886-64-2;DTXSID9064500;SCHEMBL11304503;4-(3-Fluoroanthyl)butanoic acid

Chemical Property of 3-Fluoranthenebutanoic acid

Chemical Property:

• Vapor Pressure: 1.81E-11mmHg at 25°C
• Boiling Point: 515.9°Cat760mmHg
• Flash Point: 412.3°C
• PSA: 37.30000
• Density: 1.296g/cm³
• LogP: 4.89450
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 288.115029749
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)CCCC(=O)O

Technology Process of 3-Fluoranthenebutanoic acid

There total 5 articles about 3-Fluoranthenebutanoic acid 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:

6b,7,10,10a-tetrahydrofluoranthene (58485-91-9) → 4-(3-fluoranthenyl)butyric acid (6886-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 2 h / 1034.3 Torr

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo00325a028

Reference yield:

4-fluoranthen-3-yl-4-oxo-butyric acid (6517-50-6) → 4-(3-fluoranthenyl)butyric acid (6886-64-2)

Guidance literature:

With potassium hydroxide; hydrazine hydrate;

Reference yield:

fluoranthene (206-44-0) → 4-(3-fluoranthenyl)butyric acid (6886-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: N₂H₄+H₂O; KOH

With potassium hydroxide; aluminium trichloride; hydrazine hydrate;

upstream raw materials:

4-fluoranthen-3-yl-4-oxo-butyric acid

succinic acid anhydride

6b,7,8,9,10,10a-hexahydrofluoranthene

6b,7,10,10a-tetrahydrofluoranthene

Downstream raw materials:

12-bromo-9α,10β-bis(benzoyloxy)-9,10,11,12-tetrahydrobenzofluoranthene

trans-9,10-bis(benzoyloxy)-9,10,11,12-tetrahydrobenzofluoranthene

trans-9,10-bis(benzoyloxy)-9,10-dihydrobenzofluoranthene

trans-9,10-dihydro-9,10-dihydroxybenzofluoranthene

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