TOLUENE-4-SULFONIC ACID 4-FLUORO-BUTYL ESTER

Base Information

• Chemical Name: TOLUENE-4-SULFONIC ACID 4-FLUORO-BUTYL ESTER
• CAS No.: 433-10-3
• Molecular Formula: C11H15 F O3 S
• Molecular Weight: 246.303
• Hs Code.: 2905590090
• Mol file: 433-10-3.mol

Synonyms:1-Butanol,4-fluoro-, 4-methylbenzenesulfonate (9CI); 1-Butanol, 4-fluoro-,p-toluenesulfonate (6CI,8CI)

Chemical Property of TOLUENE-4-SULFONIC ACID 4-FLUORO-BUTYL ESTER

Chemical Property:

• Vapor Pressure: 6.29E-05mmHg at 25°C
• Boiling Point: 355.7°Cat760mmHg
• Flash Point: 168.9°C
• PSA: 51.75000
• Density: 1.179g/cm³
• LogP: 3.53080

Purity/Quality:

98%min ^*data from raw suppliers

4-FLUOROBUTYL 4-METHYLBENZENESULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of TOLUENE-4-SULFONIC ACID 4-FLUORO-BUTYL ESTER

There total 3 articles about TOLUENE-4-SULFONIC ACID 4-FLUORO-BUTYL ESTER 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: 48.0%

1,4-ditosyloxybutane (4724-56-5) → 4-fluorobutyl tosylate (433-10-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In acetonitrile; for 24h; Reflux;

DOI:10.1021/jm401384w

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → 4-fluorobutyl tosylate (433-10-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 0 °C

2: tetrabutyl ammonium fluoride / acetonitrile / 24 h / Reflux

With tetrabutyl ammonium fluoride; triethylamine; In dichloromethane; acetonitrile;

DOI:10.1021/jm401384w

Reference yield:

1-fluoro-4-iodobutane (372-91-8) + silver(I) 4-methylbenzenesulfonate (16836-95-6) → 4-fluorobutyl tosylate (433-10-3)

Guidance literature:

DOI:10.1021/ja01596a078

upstream raw materials:

1-fluoro-4-iodobutane

silver(I) 4-methylbenzenesulfonate

1,4-ditosyloxybutane

p-toluenesulfonyl chloride

Downstream raw materials:

thioacetic acid S-(4-fluoro-butyl ester)

Refernces