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1-Ethynyl-4-fluorobenzene

ALDRICH/404330 - 99%

Synonym: (4-Fluorophenyl)acetylene; (4-Fluorophenyl)ethyne; (p-Fluorophenyl)acetylene; (p-Fluorophenyl)ethyne; 1-Fluoro-4-ethynylbenzene; 2-(4-Fluorophenyl)acetylene; 4-Ethynylfluorobenzene; 4-Fluoroethynylbenzene

CAS Number: 766-98-3
Empirical Formula (Hill Notation): C8H5F
Molecular Weight: 120.12
MDL Number: MFCD00168823
Linear Formula: FC6H4C≡CH
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-404330-1G 1 g
 $63.90
1/EA		 Add To Favorites
45-404330-5G 5 g
 $103.00
1/EA		 Add To Favorites

 

assay 99%
bp 55-56 °C/40 mmHg (lit.)
density 1.048 g/mL at 25 °C (lit.)
form solid
functional group fluoro
InChI 1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChI key QXSWHQGIEKUBAS-UHFFFAOYSA-N
mp 26-27 °C (lit.)
Quality Level 200 
refractive index n20/D 1.516 (lit.)
SMILES string Fc1ccc(cc1)C#C
storage temp. 2-8°C
Application: 1-Ethynyl-4-fluorobenzene may be used in the synthesis of the following:
• 3-(4-Fluorophenyl)-1H-isochromen-1-one by reacting with 2-iodobenzoic acid in the presence of copper catalyst.
• 4-Bromo-3,5-difluoro-2,6-bis-(4-fluoro-phenylethynyl)-pyridine by reacting with 2,4,6-tribromo-3,5-difluoropyridine by palladium catalyzed Sonogashira reaction.
• 1-(4-Fluorophenyl)-3-methoxy-3-(4-methoxyphenyl)propan-1-one by reacting with p-anisaldehyde.
• 5-(4-Fluorophenyl)-1-(2-nitrobenzyl)-1H-1,2,3-triazole by reacting with 1-(bromomethyl)-2-nitrobenzene in the presence of sodium azide.
Application: 1-Ethynyl-4-fluorobenzene, a substituted phenylacetylene, may be used in the synthesis of aryl acetylenes, via Sonogashira type cross coupling reaction with various haloarenes in the presence of bis(μ-iodo)bis((-)-sparteine)dicopper(I) catalyst.
General description: 1-Ethynyl-4-fluorobenzene (pFAB) is a fluorobenzene derivative. Trianionic pincer alkylidyne complex catalyzed polymerization of 1-ethynyl-4-fluorobenzene has been reported. The surface of the iodophenyl-terminated organic monolayers has been modified by Sonogashira coupling of the iodophenyl groups found on the surface with pFAB. Dimerization catalyzed by Y[N(TMS)2]3 and 4-chloroaniline gave exclusive formation of one of three possible enediynes in excellent yield.
Packaging: 1, 5 g in glass bottle
Purity 99%
bp 55-56 °C/40 mmHg (lit.)
mp 26-27 °C (lit.)
Density 1.048 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.516 (lit.)
Storage Temp. 2-8°C
UNSPSC 12352100

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