2-chloro-4-fluoro-3-methylbenzonitrile

Base Information

• Chemical Name: 2-chloro-4-fluoro-3-methylbenzonitrile
• CAS No.: 796600-15-2
• Molecular Formula: C8H5ClFN
• Molecular Weight: 169.586
• Hs Code.: 2926909090
• Mol file: 796600-15-2.mol

Synonyms:2-Chloro-4-fluoro-3-methylbenzonitrile;

Chemical Property of 2-chloro-4-fluoro-3-methylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 260.751 °C at 760 mmHg
• Flash Point: 111.498 °C
• PSA: 23.79000
• Density: 1.283 g/cm³
• LogP: 2.65918
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4-fluoro-3-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chloro-4-fluoro-3-methylbenzonitrile is a reagent used in the synthesis of a novel and potent nonsteroidal androgen receptor modulator (SARM) with partial agonist activity relative to the natural androgen testosterone.

Technology Process of 2-chloro-4-fluoro-3-methylbenzonitrile

There total 4 articles about 2-chloro-4-fluoro-3-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: 76.0%

2-chloro-4-fluorobenzonitrile (60702-69-4) + methyl iodide (74-88-4) → 2-chloro-4-fluoro-3-methylbenzonitrile (796600-15-2)

Guidance literature:

2-chloro-4-fluorobenzonitrile; With lithium diisopropyl amide; In tetrahydrofuran; hexanes; at -78 - -65 ℃; for 6h;

methyl iodide; In tetrahydrofuran; hexanes; at -65 - -5 ℃; for 14h;

Reference yield: 71.0%

3-bromo-2-chloro-6-fluorotoluene (203302-92-5) + dicyanozinc (557-21-1) → 2-chloro-4-fluoro-3-methylbenzonitrile (796600-15-2)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 120 ℃; for 2h; Product distribution / selectivity;

Reference yield:

3-bromo-2-chloro-6-fluorotoluene (203302-92-5) + zinc cyanide → 2-chloro-4-fluoro-3-methylbenzonitrile (796600-15-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 200 ℃; for 0.0416667h; Microwave irradiation;

DOI:10.1021/jm901149c

upstream raw materials:

3-bromo-2-chloro-6-fluorotoluene

dicyanozinc

2-chloro-4-fluoro-3-methylbenzamide

2-chloro-4-fluorobenzonitrile

Downstream raw materials:

ACP-105

Refernces

• 1、 -. "SELECTIVE ANDROGEN RECEPTOR MODULATORS". Page/Page column 24-25. . Retrieved 2013/04/25.
• 2、 -. "CYCLIC AMINE COMPOUND". Page/Page column 87-88. . Retrieved 2010/11/25.