2-(4-Fluorophenyl)-1,3-benzoxazole

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-1,3-benzoxazole
• CAS No.: 397-54-6
• Molecular Formula: C13H8FNO
• Molecular Weight: 213.211
• DSSTox Substance ID: DTXSID10387970
• Nikkaji Number: J2.183.249I
• Wikidata: Q82182608
• Mol file: 397-54-6.mol

Synonyms:2-(4-fluorophenyl)-1,3-benzoxazole;397-54-6;2-(4-FLUOROPHENYL)BENZOXAZOLE;2-(4-Fluorophenyl)benzo[d]oxazole;STK360416;SCHEMBL4161510;DTXSID10387970;KETHPFOJWJUQFI-UHFFFAOYSA-N;2(4-fluorophenyl)-1,3-benzoxazole;AKOS003343269;NCGC00324684-01;AB01250697-03

Chemical Property of 2-(4-Fluorophenyl)-1,3-benzoxazole

Chemical Property:

• Boiling Point: 291.1 °C at 760 mmHg
• Flash Point: 129.9 °C
• PSA: 26.03000
• Density: 1.261 g/cm³
• LogP: 3.63390
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.058992041
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

2-(4-FLUORO-PHENYL)-BENZOOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)F

Technology Process of 2-(4-Fluorophenyl)-1,3-benzoxazole

There total 75 articles about 2-(4-Fluorophenyl)-1,3-benzoxazole 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: 98.0%

4-fluorobenzaldehyde (459-57-4) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-(4-fluorophenyl)benzoxazole (397-54-6)

Guidance literature:

4-fluorobenzaldehyde; 2-hydroxynitrobenzene; In 1,4-dioxane; water; at 80 ℃; for 0.0833333h;

With formic acid; In 1,4-dioxane; water; at 80 ℃; for 8h; Sealed tube;

DOI:10.1039/c8ta09342c

Reference yield: 96.0%

4-fluorobenzaldehyde (459-57-4) + 2-amino-phenol (95-55-6) → 2-(4-fluorophenyl)benzoxazole (397-54-6)

Guidance literature:

With copper(ll) bromide; In toluene; at 111 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2011.04.121

Reference yield: 92.0%

benzoxazole (273-53-0,29791-96-6) + 4-fluorobenzoyl chloride (403-43-0) → 2-(4-fluorophenyl)benzoxazole (397-54-6)

Guidance literature:

With hafnium-based metal-organic framework catalyst; In neat (no solvent); at 170 ℃; for 6h;

DOI:10.1016/j.jcat.2019.04.023

upstream raw materials:

4-Fluorobenzoic acid

2-amino-phenol

N-(2-chlorophenyl)-4-fluorobenzamide

N-(2-bromophenyl)-4-fluorobenzamide

Downstream raw materials:

6-chloro-2-(4-fluorophenyl)benzo[d]oxazole

2-{[2-(4-chlorobenzoyl)-4-fluoro]phenyl}benzoxazole

6-bromo-2-(4-fluorophenyl)benzo[d]oxazole

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(4-fluorophenyl)benzoxazole

Refernces

• 1、 -. "Organic electrophosphorescent host material and application thereof in organic electroluminescent device". Paragraph 0042-0045. . Retrieved 2021/05/12.
• 2、 Datta, Arup. "Dowex 50W: A green mild reusable catalyst for the synthesis of 2-aryl benzoxazole derivatives in aqueous medium". . p. 341 - 347. Retrieved 2021/05/19.