1-Fluoro-2-nitrosobenzene

Base Information

• Chemical Name: 1-Fluoro-2-nitrosobenzene
• CAS No.: 345-36-8
• Molecular Formula: C6H4FNO
• Molecular Weight: 125.102
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID00544277
• Nikkaji Number: J380.931E
• Wikidata: Q82421351
• Mol file: 345-36-8.mol

Synonyms:345-36-8;1-fluoro-2-nitrosobenzene;Benzene, 1-fluoro-2-nitroso-;fluoronitrosobenzene;o-fluoronitrosobenzene;SCHEMBL765156;DTXSID00544277;UYTJAHDDQVFRBS-UHFFFAOYSA-N

Chemical Property of 1-Fluoro-2-nitrosobenzene

Chemical Property:

• PSA: 29.43000
• LogP: 2.22360
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 125.027691913
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N=O)F

Technology Process of 1-Fluoro-2-nitrosobenzene

There total 2 articles about 1-Fluoro-2-nitrosobenzene 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:

2-Fluoroaniline (348-54-9) → 1,2‐bis(2‐fluorophenyl)diazene 1‐oxide (318515-12-7,497-87-0) + 1-fluoro-2-nitrosobenzene (345-36-8) + 2,2'-difluoroazobenzene (401-44-5)

Guidance literature:

With dihydrogen peroxide; CpMo(CO)3(CCPh); In tert-butyl alcohol; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2008.04.005

Reference yield:

bis-(2-fluoro-phenyl)-diazene-N,N'-dioxide → 1-fluoro-2-nitrosobenzene (345-36-8)

Guidance literature:

bezueglich des Gleichgewichts mit dem Monomeren;

DOI:10.1021/jo01033a509

Reference yield: 93.0%

1-fluoro-2-nitrosobenzene (345-36-8) + methyl 1-acetyl-3-oxoindoline-2-carboxylate (143466-17-5) → methyl 3-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-2-carboxylate

Guidance literature:

With caesium carbonate; In dichloromethane; at 20 ℃; for 50h; Sealed tube;

DOI:10.1021/acs.orglett.1c01235

upstream raw materials:

2-Fluoroaniline

Downstream raw materials:

N,O-bis-(1-cyano-1-methyl-ethyl)-N-(2-fluoro-phenyl)-hydroxylamine

2-(2-fluorophenylazo)pyridine

2-(2-fluorophenylazo)pyrimidine

2-(2-fluorophenylazo)pyrazine

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