4-Fluorobutyl acetate

Base Information

• Chemical Name: 4-Fluorobutyl acetate
• CAS No.: 373-09-1
• Molecular Formula: C6H11FO2
• Molecular Weight: 134.151
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID90190742
• Nikkaji Number: J54.216D
• Wikidata: Q83063136
• Mol file: 373-09-1.mol

Synonyms:4-Fluorobutyl acetate;373-09-1;4-Fluorobutyl=acetate;ACETIC ACID, 4-FLUOROBUTYL ESTER;BRN 1749679;4-02-00-00146 (Beilstein Handbook Reference);DTXSID90190742

Chemical Property of 4-Fluorobutyl acetate

Chemical Property:

• Vapor Pressure: 7.7mmHg at 25°C
• Boiling Point: 135.5°Cat760mmHg
• Flash Point: 35.6°C
• PSA: 26.30000
• Density: 0.982g/cm³
• LogP: 1.29920
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.07430775
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCF

Technology Process of 4-Fluorobutyl acetate

There total 6 articles about 4-Fluorobutyl acetate 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: 82.0%

4-acetoxy-1-butanol (35435-68-8) → 4-fluorobutyl acetate (373-09-1)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at -78 ℃; for 3h;

DOI:10.1039/b506635b

Reference yield: 56.0%

4-Bromobutyl acetate (4753-59-7) → 4-fluorobutyl acetate (373-09-1)

Guidance literature:

With potassium fluoride; at 160 ℃; for 672000h;

DOI:10.1021/jp012392h

Reference yield:

→ 4-fluorobutyl acetate (373-09-1)

Guidance literature:

With potassium fluoride; at 220 - 230 ℃;

upstream raw materials:

4-Chlorobutyl acetate

4-Bromobutyl acetate

4-acetoxy-1-butanol

Downstream raw materials:

1-fluoro-4-hydroxybutane

Refernces

• 1、 Traetteberg, Marit,Richardson, Alan D.,Hedberg, Kenneth,Winter, Rolf W.,Gard, Gary L.. "Structure, conformations, and internal hydrogen bonding in gaseous 4-fluorobutan-1-ol. Gas-phase electron diffraction and Ab initio study". . p. 9587 - 9594. Retrieved 2007/10/03.