4-(4-Fluorophenoxy)butanoic acid

Base Information

• Chemical Name: 4-(4-Fluorophenoxy)butanoic acid
• CAS No.: 1549-77-5
• Molecular Formula: C10H11 F O3
• Molecular Weight: 198.194
• Hs Code.: 2918990090
• European Community (EC) Number: 837-589-6
• DSSTox Substance ID: DTXSID10482075
• Mol file: 1549-77-5.mol

Synonyms:4-(4-fluorophenoxy)butanoic acid;1549-77-5;Butanoic acid, 4-(4-fluorophenoxy)-;SCHEMBL3256041;DTXSID10482075;4-VINYL-BENZOICACIDETHYLESTER;AKOS000200773;CS-0244279;EN300-27466;Z235347019

Chemical Property of 4-(4-Fluorophenoxy)butanoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.06930
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 198.06922237
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

99%min ^*data from raw suppliers

4-(4-fluorophenoxy)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCC(=O)O)F

Technology Process of 4-(4-Fluorophenoxy)butanoic acid

There total 8 articles about 4-(4-Fluorophenoxy)butanoic acid 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: 52.7%

3-(3-fluorophenoxy)propanecarboxylic acid (87411-27-6) → 4-(4-fluorophenoxy)butyric acid (1549-77-5)

Guidance literature:

Reference yield:

4-(4-fluorophenoxy)butyric acid ethyl ester (69687-96-3) → 4-(4-fluorophenoxy)butyric acid (1549-77-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.jfluchem.2016.11.008

Reference yield:

4-Fluorophenol (371-41-5) → 4-(4-fluorophenoxy)butyric acid (1549-77-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol

2: potassium cyanide; ethanol / Erwaermen des Reaktionsprodukts mit wss.-aethanol. Kalilauge

With potassium cyanide; ethanol; sodium ethanolate;

upstream raw materials:

1-(3-chloropropoxy)-4-fluorobenzene

4-butanolide

4-Fluorophenol

3-(3-fluorophenoxy)propanecarboxylic acid

Downstream raw materials:

4-(2-bromo-4-fluoro-phenoxy)-butyric acid

7-fluoro-3,4-dihydro-2H-benzo[b]oxepin-5-one

Refernces

• 1、 Wang, Wei,Zhou, Yuan,Peng, Hao,He, Hong-Wu,Lu, Xing-Tao. "Synthesis and herbicidal activity of α-[(substituted phenoxybutyryloxy or valeryoxy)]alkylphosphonates and 2-(substituted phenoxybutyryloxy)alkyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one containing fluorine". . p. 8 - 16. Retrieved 2016/11/25.
• 2、 Rueeger, Heinrich,Gerspacher, Marc,Buehlmayer, Peter,Rigollier, Pascal,Yamaguchi, Yasuchika,Schmidlin, Tibur,Whitebread, Steven,Nuesslein-Hildesheim, Barbara,Nick, Hanspeter,Cricione, Leoluca. "Discovery and SAR of potent, orally available and brain-penetrable 5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen- and 4,5-dihydro-6-oxa-3-thia-1-aza- benzo[e]azulen derivatives as neuropeptide Y Y5 receptor antagonists". . p. 2451 - 2457. Retrieved 2007/10/03.