3-(Aminooxy)-5-fluorobenzonitrile

Base Information

• Chemical Name: 3-(Aminooxy)-5-fluorobenzonitrile
• CAS No.: 197588-22-0
• Molecular Formula: C₇H₅FN₂O
• Molecular Weight: 152.128
• DSSTox Substance ID: DTXSID801300146
• Mol file: 197588-22-0.mol

Synonyms:197588-22-0;3-aminooxy-5-fluorobenzonitrile;Benzonitrile, 3-(aminooxy)-5-fluoro- (9CI);3-(Aminooxy)-5-fluorobenzonitrile;DTXSID801300146

Chemical Property of 3-(Aminooxy)-5-fluorobenzonitrile

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.03859095
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1ON)F)C#N

Technology Process of 3-(Aminooxy)-5-fluorobenzonitrile

There total 2 articles about 3-(Aminooxy)-5-fluorobenzonitrile 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: 92.3%

N-(3-Cyano-5-fluoro-phenoxy)-acetimidic acid ethyl ester → 3-Aminooxy-5-fluoro-benzonitrile (197588-22-0)

Guidance literature:

With perchloric acid; In 1,4-dioxane; for 1h; Ambient temperature;

DOI:10.1080/00304949709355240

Reference yield:

3,5-difluorobenzonitrile (64248-63-1) → 3-Aminooxy-5-fluoro-benzonitrile (197588-22-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 80.3 percent / t-BuOK / dimethylformamide / 1.) r.t., 30 min, 2.) 80 deg C, 1.5 h

2: 92.3 percent / 70percent aq. HClO₄ / dioxane / 1 h / Ambient temperature

With perchloric acid; potassium tert-butylate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1080/00304949709355240

upstream raw materials:

3,5-difluorobenzonitrile

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