5-Fluorobenzoxazole

Base Information

• Chemical Name: 5-Fluorobenzoxazole
• CAS No.: 221347-71-3
• Molecular Formula: C₇H₄FNO
• Molecular Weight: 137.113
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50601420
• Nikkaji Number: J1.071.795G
• Wikidata: Q72479222
• Mol file: 221347-71-3.mol

Synonyms:5-Fluorobenzoxazole;221347-71-3;5-fluoro-1,3-benzoxazole;5-Fluorobenzo[d]oxazole;MFCD08458151;SCHEMBL1585861;DTXSID50601420;ZRMPAEOUOPNNPZ-UHFFFAOYSA-N;BBL101464;STL555260;AKOS005259312;AB45629;PS-9099;SY018733;DB-029151;CS-0060653;EN300-387823;F15009;A815961

Chemical Property of 5-Fluorobenzoxazole

Chemical Property:

• Boiling Point: 188.186 °C at 760 mmHg
• Flash Point: 67.613 °C
• PSA: 26.03000
• Density: 1.321 g/cm³
• LogP: 1.96690
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 137.027691913
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-1,3-benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)N=CO2

Technology Process of 5-Fluorobenzoxazole

There total 6 articles about 5-Fluorobenzoxazole 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: 95.0%

→ 5-fluorobenzo[d]oxazole (221347-71-3)

Guidance literature:

With caesium carbonate; In water; for 0.166667h; Microwave irradiation;

Reference yield: 88.0%

2-amino-4-fluorophenol (399-97-3) + orthoformic acid triethyl ester (122-51-0) → 5-fluorobenzo[d]oxazole (221347-71-3)

Guidance literature:

Inert atmosphere; Reflux;

DOI:10.1039/c4cc05307a

Reference yield: 50.0%

2-nitro-4-fluorophenol (394-33-2) + trimethyl orthoformate (149-73-5) → 5-fluorobenzo[d]oxazole (221347-71-3)

Guidance literature:

With indium; acetic acid; In benzene; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2009.08.059

upstream raw materials:

benzoxazole

2-nitro-4-fluorophenol

trimethyl orthoformate

2-amino-4-fluorophenol

Downstream raw materials:

5-fluoro-2-(4-methylphenyl)benzoxazole

5-fluoro-2-(2-methoxyphenyl)benzoxazole

C₁₄H₇FN₂O

Refernces

• 1、 Ma, Xiaodong,Zhang, Guozhu. "Visible Light-Induced Copper-Catalyzed C—H Arylation of Benzoxazoles?". supporting information. p. 1299 - 1303. Retrieved 2020/08/05.
• 2、 -. "Method for synthesizing benzoxazole through microwave radiation of benzamide compound in water phase". Paragraph 0069. . Retrieved 2019/03/08.