4-Fluoro-4'-(phenylethynyl)benzophenone

Base Information

• Chemical Name: 4-Fluoro-4'-(phenylethynyl)benzophenone
• CAS No.: 153354-46-2
• Molecular Formula: C21H13 F O
• Molecular Weight: 300.332
• Hs Code.: 2914700090
• European Community (EC) Number: 624-285-1
• DSSTox Substance ID: DTXSID90399258
• Nikkaji Number: J643.110K
• Wikidata: Q82201679
• Mol file: 153354-46-2.mol

Synonyms:153354-46-2;4-Fluoro-4'-(phenylethynyl)benzophenone;(4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone;4-Fluoro-4/'-(phenylethynyl)benzophenone;(4-Fluorophenyl)(4-(phenylethynyl)phenyl)methanone;(4-fluorophenyl)[4-(phenylethynyl)phenyl]methanone;4-FLUORO-4'-(PHENYLETHYNYL)BENZOPHENONE&;SCHEMBL1746493;DTXSID90399258;SKWWXACONTVUHM-UHFFFAOYSA-N;STK331080;4-fluoro-4'-phenylethynyibenzophenone;4-fluoro-4'-phenylethynylbenzophenone;4-phenylethynyl-4'-fluorobenzophenone;AKOS005438737;4-(Phenylethynyl)-4'-fluorobenzophenone;4-Fluoro-4'-(phenylethynyl)benzophenone, 97%;J-009003;InChI=1/C21H13FO/c22-20-14-12-19(13-15-20)21(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15

Chemical Property of 4-Fluoro-4'-(phenylethynyl)benzophenone

Chemical Property:

• Melting Point: 151-153 °C(lit.)
• Boiling Point: 457.2oC at 760 mmHg
• Flash Point: 223.1oC
• PSA: 17.07000
• Density: 1.23g/cm3
• LogP: 4.45650
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 300.095043196
• Heavy Atom Count: 23
• Complexity: 449

Purity/Quality:

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

4-Fluoro-4′-(phenylethynyl)benzophenone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

Technology Process of 4-Fluoro-4'-(phenylethynyl)benzophenone

There total 4 articles about 4-Fluoro-4'-(phenylethynyl)benzophenone 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: 94.0%

(4-bromophenyl)-(4-fluorophenyl)methanone (2069-41-2) + phenylacetylene (536-74-3) → 4-fluoro-4'-phenylethynylbenzophenone (153354-46-2)

Guidance literature:

With copper(l) iodide; triethylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; for 10h; Heating;

DOI:10.1023/A:1015022032506

Reference yield: 93.0%

C21H15FO → 4-fluoro-4'-phenylethynylbenzophenone (153354-46-2)

Guidance literature:

With potassium phosphate; carbon dioxide; In dimethyl sulfoxide; at 90 ℃; for 48h;

DOI:10.1021/acscatal.7b04390

Reference yield:

bis(triphenylphosphine)palladium(II) dichloride + copper (l) iodide + (4-bromophenyl)-(4-fluorophenyl)methanone (2069-41-2) + phenylacetylene (536-74-3) → 4-fluoro-4'-phenylethynylbenzophenone (153354-46-2)

Guidance literature:

With triethylamine; triphenylphosphine; In nitrogen;

upstream raw materials:

(4-bromophenyl)-(4-fluorophenyl)methanone

phenylacetylene

copper(I) iodide

Downstream raw materials:

(E)-3-(4-fluoro-phenyl)-3-(4-phenylethynyl-phenyl)-acrylic acid ethyl ester

(Z)-3-(4-fluoro-phenyl)-3-(4-phenylethynyl-phenyl)-acrylic acid ethyl ester

1-(p-fluorobenzophenone)-2-phenyl-1,1,2,2-tetrafluoroethane

C₂₁H₁₅FO₂

Refernces

• 1、 -. "LIQUID CRYSTAL OLIGOMER, SYNTHESIS COMPOSITION, PREPARATION METHOD THEREOF, AND LIQUID CRYSTAL MATERIAL". Page/Page column 3. . Retrieved 2012/10/23.
• 2、 -. "Phenylethynyl amine". . . Retrieved 2008/06/13.