3-Aminofluoranthene

Base Information

• Chemical Name: 3-Aminofluoranthene
• CAS No.: 2693-46-1
• Molecular Formula: C16H11N
• Molecular Weight: 217.27
• Hs Code.: 29214990
• European Community (EC) Number: 220-263-7
• NSC Number: 57469
• UNII: 8UN5PRH090
• DSSTox Substance ID: DTXSID2049260
• Nikkaji Number: J127.533J
• Wikidata: Q27271040
• ChEMBL ID: CHEMBL103583
• Mol file: 2693-46-1.mol

Synonyms:3-aminofluoranthene

Chemical Property of 3-Aminofluoranthene

Chemical Property:

• Vapor Pressure: 5.71E-08mmHg at 25°C
• Melting Point: 115-117 °C(lit.)
• Refractive Index: 1.904
• Boiling Point: 440.8 °C at 760 mmHg
• PKA: 4.21±0.30(Predicted)
• Flash Point: 246.2 °C
• PSA: 26.02000
• Density: 1.322g/cm³
• LogP: 4.65060
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 217.089149355
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fluoranthen-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N
• Uses: Fluoranthen-3-amine has been studied as a possible fluorescent probes for ligand-?binding assays of odorant-binding proteins.

Technology Process of 3-Aminofluoranthene

There total 7 articles about 3-Aminofluoranthene 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: 96.0%

3-nitrofluoranthene (892-21-7) → 3-aminofluoranthene (2693-46-1)

Guidance literature:

With hydrazine hydrate; nickel; In ethanol; for 2h; Heating;

DOI:10.1002/recl.19921110701

Reference yield: 93.0%

→ 3-fluoranthenemaleimide + 3-aminofluoranthene (2693-46-1)

Guidance literature:

Reference yield:

fluoranthene (206-44-0) → 3-aminofluoranthene (2693-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 20 percent / ammonium nitrate, trifluoroacetic anhydride / acetonitrile / 3 h / Ambient temperature

2: 96 percent / hydrazine monohydrate / Raney Ni / ethanol / 2 h / Heating

With ammonium nitrate; hydrazine hydrate; trifluoroacetic anhydride; nickel; In ethanol; acetonitrile;

DOI:10.1002/recl.19921110701

upstream raw materials:

pyridine

benzenesulfonyl chloride

3-nitrofluoranthene

3-Acetamidofluoranthene

Downstream raw materials:

C₄₂H₂₃Br

2-bromofluoranthene

C₃₈H₃₃BO₂

C₃₂H₂₁Cl

Refernces

• 1、 Pandarus, Valerica,Ciriminna, Rosaria,Beland, Francois,Pagliaro, Mario. "A new class of heterogeneous platinum catalysts for the chemoselective hydrogenation of nitroarenes". scheme or table. p. 1306 - 1316. Retrieved 2011/06/25.
• 2、 Ball, L. M.,Stocking, L. M.,Kohan, M. J.,Warren, S. H.,Lewtas, J.. "Metabolic activation of the genotoxic environmental contaminants 2- and 3-nitrofluoranthene in variants of Salmonella typhimurium TA98". . p. 497 - 504. Retrieved 2007/10/03.