BENZONITRILE,4-FLUORO-2,6-DIMETHYL

Base Information

• Chemical Name: BENZONITRILE,4-FLUORO-2,6-DIMETHYL
• CAS No.: 14659-61-1
• Molecular Formula: C9H8FN
• Molecular Weight: 149.168
• Hs Code.: 2926909090
• Mol file: 14659-61-1.mol

Synonyms:2,6-dimethyl-4-fluorobenzonitrile;4-Fluoro-2,6-dimethyl-benzonitrile;4-Cyano-3,5-dimethylfluorbenzol;4-Fluor-2,6-dimethyl-benzonitril;CL8133;

Chemical Property of BENZONITRILE,4-FLUORO-2,6-DIMETHYL

Chemical Property:

• PSA: 23.79000
• LogP: 2.31418

Purity/Quality:

98% ^*data from raw suppliers

4-fluoro-2,6-dimethylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZONITRILE,4-FLUORO-2,6-DIMETHYL

There total 8 articles about BENZONITRILE,4-FLUORO-2,6-DIMETHYL 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: 64.0%

2‐bromo‐5‐fluoro‐1,3‐dimethylbenzene (14659-58-6) + copper(I) cyanide (544-92-3) → 2,6-dimethyl-4-fluorobenzonitrile (14659-61-1)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1246/bcsj.74.2207

Reference yield:

3,5-dimethyl-4-nitrobenzoic acid (3095-38-3) → 2,6-dimethyl-4-fluorobenzonitrile (14659-61-1)

Guidance literature:

Multi-step reaction with 5 steps

1: (i) PCl₅, (ii) aq. NH₃

2: aq. NaOH, Br₂

3: (i) aq. HCl, NaNO₂, (ii) HPF₆

4: H₂ / Pd-C

5: (i) NaNO₂, aq. HCl, (ii) /BRN= 4652394/

With sodium hydroxide; hydrogen; bromine; palladium on activated charcoal;

DOI:10.1021/ja00978a039

Reference yield:

2,6-dimethyl-4-fluoro-1-nitro-benzene (315-12-8) → 2,6-dimethyl-4-fluorobenzonitrile (14659-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C

2: (i) NaNO₂, aq. HCl, (ii) /BRN= 4652394/

With hydrogen; palladium on activated charcoal;

DOI:10.1021/ja00978a039

upstream raw materials:

2,6-dimethyl-4-fluoroaniline

potassium cyanide

2‐bromo‐5‐fluoro‐1,3‐dimethylbenzene

copper(I) cyanide

Downstream raw materials:

4-Fluoro-2,6-dimethylbenzamide

4-fluoro-2,6-dimethyl benzoic acid

methyl 4‐fluoro‐2,6‐dimethylbenzoate

diazobis(4-fluoro-2,6-dimethylphenyl)methane

Refernces

• 1、 Dell'Erba, Carlo,Sancassan, Fernando,Novi, Marino,Petrillo, Giovanni,Mugnoli, Angelo,et al.. "13C Nuclear Magnetic Resonance Study on the Nature of Resonance Interactions in 4-Substituted Benzonitriles, Acetophenones, and Methyl Benzoates". . p. 3564 - 3568. Retrieved 2007/10/02.