5-(4-Chloro-phenoxy)-pentanoic acid

Base Information

• Chemical Name: 5-(4-Chloro-phenoxy)-pentanoic acid
• CAS No.: 7170-55-0
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.675
• Hs Code.: 2918990090
• European Community (EC) Number: 615-330-6
• DSSTox Substance ID: DTXSID40369562
• Wikidata: Q82156719
• Mol file: 7170-55-0.mol

Synonyms:5-(4-Chloro-phenoxy)-pentanoic acid;5-(4-chlorophenoxy)pentanoic acid;7170-55-0;DTXSID40369562;MFCD00277096;AKOS000104781

Chemical Property of 5-(4-Chloro-phenoxy)-pentanoic acid

Chemical Property:

• Vapor Pressure: 1.19E-06mmHg at 25°C
• Boiling Point: 386.1oC at 760 mmHg
• Flash Point: 187.3oC
• PSA: 46.53000
• Density: 1.229g/cm3
• LogP: 2.97370
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Chloro-phenoxy)-pentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCCC(=O)O)Cl

Technology Process of 5-(4-Chloro-phenoxy)-pentanoic acid

There total 7 articles about 5-(4-Chloro-phenoxy)-pentanoic 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: 96.0%

C13H17ClO3 → 5-(4-chlorophenoxy)valeric acid (7170-55-0)

Guidance literature:

With ethanol; sodium hydroxide; In water; at 20 ℃; for 1h;

Reference yield: 95.0%

→ 5-(4-chlorophenoxy)valeric acid (7170-55-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 70 ℃; for 10h;

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → 5-(4-chlorophenoxy)valeric acid (7170-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / acetonitrile / 8 h / 50 °C

2: sodium hydroxide; water / ethanol / 2 h / Reflux

With water; caesium carbonate; sodium hydroxide; In ethanol; acetonitrile;

DOI:10.1016/j.ejmech.2020.112252

upstream raw materials:

[3-(4-chloro-phenoxy)-propyl]-malonic acid

1-(3-bromopropoxy)-4-chlorobenzene

ethyl 5-bromovalerate

4-chloro-phenol

Refernces

• 1、 Jiang, Kai,Lin, Feng,Wu, Hao,Xiao, Junhai,Xiao, Zijian,Yan, Xinlin,Yu, Jiahao,Yue, Yuandong,Zhao, Meihua,Zhou, Xiaoping. "Design, synthesis, and biological evaluation of 3-amino-2-oxazolidinone derivatives as potent quorum-sensing inhibitors of Pseudomonas aeruginosa PAO1". . . Retrieved 2020/03/31.