3-Phenoxypropionic acid

Base Information

• Chemical Name: 3-Phenoxypropionic acid
• CAS No.: 7170-38-9
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• European Community (EC) Number: 230-518-4
• DSSTox Substance ID: DTXSID10221921
• Nikkaji Number: J1.846E
• Wikidata: Q72501112
• Metabolomics Workbench ID: 38087
• Mol file: 7170-38-9.mol

Synonyms:3-phenoxypropionic acid

Chemical Property of 3-Phenoxypropionic acid

Chemical Property:

• Appearance/Colour: off white crystalline powder
• Vapor Pressure: 0.0157mmHg at 25°C
• Melting Point: 98 - 100 C
• Refractive Index: 1.5184 (estimate)
• Boiling Point: 235 C
• PKA: 4.12±0.10(Predicted)
• Flash Point: 84 C
• PSA: 46.53000
• Density: 1.177 g/cm³
• LogP: 1.54010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

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

3-PhenoxypropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: C
• Statements: 34
• Safety Statements: 24/25-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCC(=O)O

Technology Process of 3-Phenoxypropionic acid

There total 29 articles about 3-Phenoxypropionic 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: 85.0%

3-Bromopropionic acid (590-92-1) + phenol (108-95-2,27073-41-2) → 3-phenoxypropanoic acid (7170-38-9)

Guidance literature:

With potassium carbonate; potassium hydroxide; In ethanol; water; for 5h; Reflux;

DOI:10.3390/molecules21070916

Reference yield: 27.0%

ethyl acrylate (140-88-5,9003-32-1) + phenol (108-95-2,27073-41-2) → 3-phenoxypropanoic acid (7170-38-9)

Guidance literature:

ethyl acrylate; phenol; With N-benzyl-trimethylammonium hydroxide; at 120 ℃; for 48h;

With hydrogenchloride; water; for 24h; Reflux;

Reference yield: 15.0%

chloropropionic acid (107-94-8) + phenol (108-95-2,27073-41-2) → 3-phenoxypropanoic acid (7170-38-9)

Guidance literature:

With potassium hydroxide; for 2h; Heating;

DOI:10.1021/jm00350a002

upstream raw materials:

β-Propiolactone

sodium phenoxide

phenol

3-iodopropanoic acid

Downstream raw materials:

2,3-dihydro-4H-1-benzopyran-4-one

3-(4-chlorophenoxy)propionic acid

3-phenoxypropyonic chloride

3-phenoxy-propionic acid amide

Refernces

• 1、 Begum, Ayisha F.,Balasubramanian, Kalpattu K.,Shanmugasundaram, Bhagavathy. "Acid activated montmorillonite K-10 mediated intramolecular acylation: Simple and convenient synthesis of 4-chromanones". . . Retrieved 2021/09/13.
• 2、 Upegui, Yulieth,Rios, Karina,Qui?ones, Wiston,Echeverri, Fernando,Archbold, Rosendo,Murillo, Javier D.,Torres, Fernando,Escobar, Gustavo,Vélez, Iván D.,Robledo, Sara M.. "Chroman-4-one hydrazones derivatives: synthesis, characterization, and in vitro and in vivo antileishmanial effects". . p. 2184 - 2199. Retrieved 2019/11/03.