9-n-Butylfluorene

Base Information

• Chemical Name: 9-n-Butylfluorene
• CAS No.: 3952-42-9
• Molecular Formula: C17H18
• Molecular Weight: 222.33
• DSSTox Substance ID: DTXSID10423822
• Nikkaji Number: J813.083C
• Wikidata: Q82236124
• Mol file: 3952-42-9.mol

Synonyms:9-n-butylfluorene;9-butyl-9H-fluorene;3952-42-9;9H-Fluorene, 9-butyl;9H-Fluorene, 9-butyl-;9-butylfluorene;fluorene, 9-butyl-;DTXSID10423822;FT-0602758

Chemical Property of 9-n-Butylfluorene

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 344.7 °C at 760 mmHg
• Flash Point: 172.7 °C
• PSA: 0.00000
• Density: 1.015g/cm³
• LogP: 4.98910
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 222.140850574
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

99.0% ^*data from raw suppliers

9-N-Butylfluorene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1C2=CC=CC=C2C3=CC=CC=C13
• Uses: 9-N-Butylfluorene is used as a reagent (or an intermediate) in the synthesis of selenol esters. 9-N-Butylfluorene is also used in the prepartion of bifluorenes (e.g. T291200) via chloride-mediated radical coupling. 9-N-Butylfluorene is used as a reagent (or an intermediate) in the synthesis of selenium-containing esters. 9-N-Butylfluorene is also used in the prepartion of bifluorenes (e.g. T291200) via chloride-mediated radical coupling.

Technology Process of 9-n-Butylfluorene

There total 2 articles about 9-n-Butylfluorene 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:

9-fluorenone (486-25-9,952573-42-1) + N-butylamine (109-73-9,85404-21-3) → 9H-fluorene (86-73-7) + 9-butyl-9H-fluorene (3952-42-9) + 9,9'-bifluorenyl (1530-12-7) + N-butyl-9H-fluoren-9-amine (46880-06-2)

Guidance literature:

With Diethyl phosphonate; In ethanol; at 70 ℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

diethyl 9H-fluoren-9-yl phosphate (34881-01-1) + N-butylamine (109-73-9,85404-21-3) → 9H-fluorene (86-73-7) + 9-butyl-9H-fluorene (3952-42-9) + 9,9'-bifluorenyl (1530-12-7) + N-butyl-9H-fluoren-9-amine (46880-06-2)

Guidance literature:

at 70 ℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

9-butyl-9H-fluorene (3952-42-9) + chlorodicyclohexylphosphane (16523-54-9) → C29H39P (1007311-97-8)

Guidance literature:

9-butyl-9H-fluorene; With n-butyllithium; In hexane; tert-butyl methyl ether; at 0 - 20 ℃; for 2.25h; Inert atmosphere;

chlorodicyclohexylphosphane; In hexane; tert-butyl methyl ether; at -30 - 20 ℃; for 1.25h; Inert atmosphere;

DOI:10.1021/op7001479

upstream raw materials:

9-fluorenone

N-butylamine

diethyl 9H-fluoren-9-yl phosphate

Downstream raw materials:

C₂₉H₃₉P

Refernces