3-Fluoro-4-methylbenzonitrile

Base Information

• Chemical Name: 3-Fluoro-4-methylbenzonitrile
• CAS No.: 170572-49-3
• Molecular Formula: C8H6FN
• Molecular Weight: 135.141
• Hs Code.: 29269090
• Mol file: 170572-49-3.mol

Synonyms:3-Fluoro-p-tolunitrile;4-Cyano-2-fluorotoluene;Benzonitrile, 3-fluoro-4-methyl-;

Chemical Property of 3-Fluoro-4-methylbenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.151mmHg at 25°C
• Melting Point: 47-51 °C
• Refractive Index: 1.508
• Boiling Point: 215.1 °C at 760 mmHg
• Flash Point: 90.3 °C
• PSA: 23.79000
• Density: 1.11 g/cm³
• LogP: 2.00578
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

98% ^*data from raw suppliers

3-Fluoro-4-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: Xi,T
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3-Fluoro-4-methylbenzonitrile

There total 15 articles about 3-Fluoro-4-methylbenzonitrile 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: 100.0%

3-fluoro-4-methylbenzoic acid chloride (59189-97-8) → 2-fluoro-4-cyanotoluene (170572-49-3)

Guidance literature:

With triethylamine; trifluoroacetyl chloride; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jm960799i

Reference yield: 89.0%

methyl 2-(4-cyano-2-fluorophenyl)acetate (942282-44-2) → 2-fluoro-4-cyanotoluene (170572-49-3)

Guidance literature:

With calcium chloride; In N,N-dimethyl acetamide; water; at 140 - 145 ℃;

Reference yield: 85.9%

dimethyl 2-(4-cyano-2-fluorophenyl)-1,3-propanedioate → 2-fluoro-4-cyanotoluene (170572-49-3)

Guidance literature:

With calcium chloride; In N,N-dimethyl acetamide; at 140 - 145 ℃; Reagent/catalyst; Solvent; Concentration; Temperature;

upstream raw materials:

3-fluoro-4-methylbenzaldehyde

3-fluoro-4-methylbenzoic acid chloride

2-fluoro-4-bromotoluene

copper(I) cyanide

Downstream raw materials:

2-(3-Fluoro-4-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-ol

4-(bromomethyl)-3-fluorobenzonitrile

3-fluoro-4-methyl-2-quinolin-3-ylbenzonitrile

(4R)-4-{4-cyano-2-[(1-methylethyl)sulfonyl]phenyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Refernces

• 1、 -. "Preparation method of 3-fluoro-4-methylbenzonitrile". Paragraph 0048; 0049; 0050; 0051. . Retrieved 2019/03/24.
• 2、 Nimnual, Phongprapan,Tummatorn, Jumreang,Thongsornkleeb, Charnsak,Ruchirawat, Somsak. "Utility of Nitrogen Extrusion of Azido Complexes for the Synthesis of Nitriles, Benzoxazoles, and Benzisoxazoles". . p. 8657 - 8667. Retrieved 2015/09/15.