2-(4-Chlorophenoxy)propionic acid

Base Information

• Chemical Name: 2-(4-Chlorophenoxy)propionic acid
• CAS No.: 3307-39-9
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• European Community (EC) Number: 221-991-8
• NSC Number: 70174
• DSSTox Substance ID: DTXSID90875865
• Nikkaji Number: J7.716J
• Metabolomics Workbench ID: 67667
• ChEMBL ID: CHEMBL23629
• Mol file: 3307-39-9.mol

Synonyms:2-(4-chlorophenoxy)propanoic acid;2-(4-chlorophenoxy)propionic acid;2-(4-chlorophenoxy)propionic acid, (+-)-isomer;2-(4-chlorophenoxy)propionic acid, (R)-isomer;2-(4-chlorophenoxy)propionic acid, (S)-isomer;2-(4-chlorophenoxy)propionic acid, potassium salt;2-(p-chlorophenoxy)propionic acid;2-p-CPP

Chemical Property of 2-(4-Chlorophenoxy)propionic acid

Chemical Property:

• Vapor Pressure: 0.00015mmHg at 25°C
• Melting Point: 66 °C
• Refractive Index: 1.5470 (estimate)
• Boiling Point: 318.5 °C at 760 mmHg
• PKA: 3.14±0.10(Predicted)
• Flash Point: 146.4 °C
• PSA: 46.53000
• Density: 1.307 g/cm³
• LogP: 2.19190
• Storage Temp.: 2-8°C
• Water Solubility.: 1.475g/L(25 oC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Chlorophenoxy)propionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)Cl
• Uses: 2-(4-Chlorophenoxy) propionic acid

Technology Process of 2-(4-Chlorophenoxy)propionic acid

There total 87 articles about 2-(4-Chlorophenoxy)propionic 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:

2-(4-chlorophenoxy)-1-propanol (63650-24-8,87810-51-3) → 2-(4-chlorophenoxy)propionic acid (3307-39-9)

Guidance literature:

With antimony pentoxide; oxygen; In water; at 100 - 120 ℃; under 6000.6 Torr;

Reference yield:

n-butyl 2-(4-chlorophenoxy)propionate → 2-(4-chlorophenoxy)propionic acid (3307-39-9)

Guidance literature:

With phosphoric acid; at 80 ℃; for 3h;

Reference yield:

cyclopropyl 4-(2-chlorophenoxy)butanoate (18671-89-1) → 2-(4-chlorophenoxy)propionic acid (3307-39-9)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1021/jm00311a048

upstream raw materials:

sodium 4-chlorophenolate

Ethyl 2-bromopropionate

2-phenoxypropionic acid

N,N-dichloro-p-toluenesulfonamide

Downstream raw materials:

(R)-2-(4-chlorophenoxy)propanoic acid

(S)-2-(4-chlorophenoxy)propionic acid

2-(4-chlorophenoxy)-1-propanol

2-(4-chlorophenoxy)propanoic acid methyl ester

Refernces

• 1、 -. "Anti-hepatic fibrosis compound, preparation, preparation method and application". Paragraph 0029-0031. . Retrieved 2021/03/05.
• 2、 -. "Anti-hepatic fibrosis compound and preparation as well as preparation method and application of compound". Paragraph 0030; 0031. . Retrieved 2020/01/12.