6-Fluoro-1,3-benzoxazol-2(3H)-one

Base Information

• Chemical Name: 6-Fluoro-1,3-benzoxazol-2(3H)-one
• CAS No.: 2923-94-6
• Molecular Formula: C7H4FNO2
• Molecular Weight: 153.11100
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40560572
• Nikkaji Number: J3.207.516I
• Wikidata: Q82443989
• Mol file: 2923-94-6.mol

Synonyms:2923-94-6;6-Fluoro-1,3-benzoxazol-2(3H)-one;6-fluoro-3H-1,3-benzoxazol-2-one;6-Fluorobenzo[d]oxazol-2(3H)-one;6-FLUORO-2(3H)-BENZOXAZOLONE;2(3H)-Benzoxazolone, 6-fluoro-;6-fluoro-2benzoxazolinone;6-Fluorobenzo[d]oxazol-2-ol;SCHEMBL2149352;6-Fluoro-3H-benzooxazol-2-one;DTXSID40560572;XFHJMCQRLBZIDO-UHFFFAOYSA-N;2(3H)-Benzoxazolone, 6-fluoro-;MFCD11845132;AKOS005174134;6-Fluoro-2(3H)-benzoxazolone, 97%;6-fluoro-3H-1, 3-benzoxazol-2-one;6-fluoro-1,3-benzoxazolin-2(3H)-one;BS-22232;CS-0207698;6-fluoro-2,3-dihydro-1,3-benzoxazol-2-one;D84609;A876505;J-017449

Chemical Property of 6-Fluoro-1,3-benzoxazol-2(3H)-one

Chemical Property:

• Melting Point: 190-195oC
• PKA: 8.16±0.70(Predicted)
• PSA: 46.00000
• Density: 1.440±0.06 g/cm3(Predicted)
• LogP: 1.26020
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.02260653
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99%, ^*data from raw suppliers

6-Fluoro-3H-1,3-benzoxazol-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)OC(=O)N2

Technology Process of 6-Fluoro-1,3-benzoxazol-2(3H)-one

There total 9 articles about 6-Fluoro-1,3-benzoxazol-2(3H)-one 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: 96.0%

phosgene (75-44-5) + 2-amino-5-fluorophenol (53981-24-1) → 6-fluoro-3H-benzooxazol-2-one (2923-94-6)

Guidance literature:

With potassium carbonate; In dichloromethane; toluene;

Reference yield: 70.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2-amino-5-fluorophenol (53981-24-1) → 6-fluoro-3H-benzooxazol-2-one (2923-94-6)

Guidance literature:

With pyridine; In tetrahydrofuran; at 5 - 20 ℃; for 3.5h;

DOI:10.1002/cjoc.201500046

Reference yield: 57.0%

4-Fluoro-2-hydroxyacetophenone (1481-27-2) → 6-fluoro-3H-benzooxazol-2-one (2923-94-6)

Guidance literature:

With sodium azide; iodine; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1002/adsc.201300668

upstream raw materials:

phosgene

2-amino-5-fluorophenol

4-Nitrophenyl chloroformate

carbon monoxide

Downstream raw materials:

C₁₅H₁₂FNO₃

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