2-Fluoro-6-(methylamino)benzonitrile

Base Information

• Chemical Name: 2-Fluoro-6-(methylamino)benzonitrile
• CAS No.: 96783-85-6
• Molecular Formula: C₈H₇FN₂
• Molecular Weight: 150.155
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50541635
• Wikidata: Q82418029
• Mol file: 96783-85-6.mol

Synonyms:2-Fluoro-6-(methylamino)benzonitrile;96783-85-6;2-Fluoro-6-(methylamino)benzenecarbonitrile;2-fluoro-6-methylamino-benzonitrile;Benzonitrile, 2-fluoro-6-(methylamino)-;2-Fluoro-6-methylaminobenzonitrile;MFCD12193344;2-Cyano-3-fluoro-N-methylaniline;SCHEMBL6017719;DTXSID50541635;HORADRWTTKWYNT-UHFFFAOYSA-N;AMY37717;CS-M2832;WDA78385;AKOS005073669;ND-0716;SY034560;EN300-1244729;A858668

Chemical Property of 2-Fluoro-6-(methylamino)benzonitrile

Chemical Property:

• PSA: 35.82000
• LogP: 1.81208
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.05932639
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-6-(methylamino)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C(=CC=C1)F)C#N

Technology Process of 2-Fluoro-6-(methylamino)benzonitrile

There total 4 articles about 2-Fluoro-6-(methylamino)benzonitrile 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:

2,6 difluorobenzonitrile (1897-52-5) + methylamine (74-89-5) → 2-Fluoro-6-(methylamino)benzonitrile (96783-85-6)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

C12H10FN3O2 → 2-Fluoro-6-(methylamino)benzonitrile (96783-85-6)

Guidance literature:

With sodium tetrahydroborate; In dimethyl sulfoxide; at 80 ℃; for 1h;

DOI:10.1002/adsc.202100208

Reference yield:

2-amino-6-fluorobenzonitrile (77326-36-4) → 2-Fluoro-6-(methylamino)benzonitrile (96783-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 3 h / 80 °C / Reflux

2: sodium tetrahydroborate / dimethyl sulfoxide / 1 h / 80 °C

With sodium tetrahydroborate; In ethanol; dimethyl sulfoxide;

DOI:10.1002/adsc.202100208

upstream raw materials:

2,6 difluorobenzonitrile

methylamine

2-amino-6-fluorobenzonitrile

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