1-Fluoro-4-(2-phenylethynyl)benzene

Base Information

• Chemical Name: 1-Fluoro-4-(2-phenylethynyl)benzene
• CAS No.: 405-29-8
• Molecular Formula: C14H9F
• Molecular Weight: 196.224
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70449629
• Nikkaji Number: J408.464K
• Wikidata: Q82269152
• Mol file: 405-29-8.mol

Synonyms:1-fluoro-4-(2-phenylethynyl)benzene;405-29-8;1-fluoro-4-(phenylethynyl)benzene;1-FLUORO-4-PHENYLETHYNYL-BENZENE;4-fluoro-diphenylacetylene;SCHEMBL717468;4-(Phenylethynyl)phenyl fluoride;DTXSID70449629;MFCD01596898;AKOS005068210;1-fluoro-4-(2-phenyl-ethynyl)-benzene;CS-0264263;EN300-9248460;Z1198157137

Chemical Property of 1-Fluoro-4-(2-phenylethynyl)benzene

Chemical Property:

• Melting Point: 109-110 °C(Solv: ethanol (64-17-5))
• Boiling Point: 296.2±23.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 3.22550
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.068828449
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

1-Fluoro-4-phenylethynyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)F

Technology Process of 1-Fluoro-4-(2-phenylethynyl)benzene

There total 106 articles about 1-Fluoro-4-(2-phenylethynyl)benzene 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: 100.0%

4-fluoro-1-iodobenzene (352-34-1) + phenylacetylene (536-74-3) → (4-fluorophenyl)phenylacetylene (405-29-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 60 ℃;

DOI:10.1021/ja051274v

Reference yield: 99.0%

phenylacetylene (536-74-3) + 1-Bromo-4-fluorobenzene (460-00-4) → (4-fluorophenyl)phenylacetylene (405-29-8)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 80 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1039/d1gc02311j

Reference yield: 99.0%

1-ethynyl-4-fluorobenzene (766-98-3) + iodobenzene (591-50-4) → (4-fluorophenyl)phenylacetylene (405-29-8)

Guidance literature:

With (diphenylphosphin)ferrocene; gold(I) iodide; potassium carbonate; In toluene; at 130 ℃; for 24h;

DOI:10.1002/ejoc.200800765

upstream raw materials:

copper(I) phenylacetylenide

4-fluoro-1-iodobenzene

benzaldehyde

diethyl α-chloro-4-fluorobenzylphosphonate

Downstream raw materials:

1-(4-fluorophenyl)-2-phenylethane

cis-4-fluorostilbene

(E)-4-fluorostilbene

2-(4-fluorophenyl)-3-phenyl-1H-indole

Refernces

• 1、 Gholinejad, Mohammad,Naghshbandi, Zhwan,Sansano, Jose M.. "Zeolitic imidazolate frameworks-67 (ZIF-67) supported PdCu nanoparticles for enhanced catalytic activity in Sonogashira-Hagihara and nitro group reduction under mild conditions". . . Retrieved 2022/01/11.
• 2、 Niknam, Esmaeil,Panahi, Farhad,Khalafi-Nezhad, Ali. "Immobilized Pd on a NHC-functionalized metal-organic FrameworkMIL-101(Cr): An efficient heterogeneous catalyst in the heck and copper-free Sonogashira coupling reactions". supporting information. . Retrieved 2021/01/12.