2,6-Difluoro-3-methoxybenzonitrile

Base Information

• Chemical Name: 2,6-Difluoro-3-methoxybenzonitrile
• CAS No.: 886498-35-7
• Molecular Formula: C8H5F2NO
• Molecular Weight: 169.131
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10396466
• Wikidata: Q82197198
• Mol file: 886498-35-7.mol

Synonyms:2,6-Difluoro-3-methoxybenzonitrile;886498-35-7;2,6-difluoro-3-methoxy-benzonitrile;2,6-difluoro-3-methoxybenzenecarbonitrile;SCHEMBL3649084;DTXSID10396466;BXVCAGRBLOMHBH-UHFFFAOYSA-N;MFCD04115902;AKOS015956989;JS-4262;CS-0319236;FT-0714888

Chemical Property of 2,6-Difluoro-3-methoxybenzonitrile

Chemical Property:

• Melting Point: 71-73℃
• PSA: 33.02000
• LogP: 1.84508
• Sensitive.: Air Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.03392011
• Heavy Atom Count: 12
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluoro-3-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)F)C#N)F

Technology Process of 2,6-Difluoro-3-methoxybenzonitrile

There total 1 articles about 2,6-Difluoro-3-methoxybenzonitrile 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: 66.0%

2,6-difluoro-3-methoxybenzamide → 2,6-difluoro-3-methoxy-benzonitrile (886498-35-7)

Guidance literature:

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In acetonitrile; at 0 ℃;

Reference yield: 55.0%

2,6-difluoro-3-methoxy-benzonitrile (886498-35-7) → 2,6-difluoro-3-hydroxybenzonitrile (946796-26-5)

Guidance literature:

2,6-difluoro-3-methoxy-benzonitrile; With boron tribromide; In dichloromethane; at 20 ℃; for 120h;

With water;

Reference yield: 42.0%

2,6-difluoro-3-methoxy-benzonitrile (886498-35-7) → 2,6-difluoro-N-hydroxy-3-methoxybenzamidine (1138333-22-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; for 15h; Reflux;

Downstream raw materials:

2,6-difluoro-3-hydroxybenzonitrile

2,6-difluoro-N-hydroxy-3-methoxybenzamidine

3-cyano-2,4-difluorophenyl trifluoromethanesulfonate

3-ethenyl-2,6-difluorobenzonitrile