3-(4-cyanophenoxy)propanoic Acid

Base Information

• Chemical Name: 3-(4-cyanophenoxy)propanoic Acid
• CAS No.: 58228-89-0
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.186
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60445337
• Wikidata: Q82263708
• Mol file: 58228-89-0.mol

Synonyms:3-(4-CYANOPHENOXY)PROPIONIC ACID;58228-89-0;3-(4-cyanophenoxy)propanoic Acid;Propanoic acid, 3-(4-cyanophenoxy)-;MFCD09043034;3-(4-Cyanophenoxy)propionicAcid;SCHEMBL926790;DTXSID60445337;QKPRNTOVSOLJPN-UHFFFAOYSA-N;AKOS000127088;AS-32083;SY008356;CS-0315809;FT-0752921;A869506

Chemical Property of 3-(4-cyanophenoxy)propanoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 369.787oC at 760 mmHg
• Flash Point: 177.441oC
• PSA: 70.32000
• Density: 1.273g/cm3
• LogP: 1.41178
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Cyanophenoxy)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)OCCC(=O)O

Technology Process of 3-(4-cyanophenoxy)propanoic Acid

There total 3 articles about 3-(4-cyanophenoxy)propanoic 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: 75.0%

β-Propiolactone (57-57-8) + 4-cyanophenol (767-00-0) → 3-(4'-cyanophenoxy)propanoic acid (58228-89-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 21h;

Reference yield: 29.32%

→ 3-(4'-cyanophenoxy)propanoic acid (58228-89-0)

Guidance literature:

Reference yield: 4.0%

chloropropionic acid (107-94-8) + 4-cyanophenol (767-00-0) → 3-(4'-cyanophenoxy)propanoic acid (58228-89-0) + 3-<4-(aminocarbonyl)phenoxy>propanoic acid (111140-92-2)

Guidance literature:

With sodium hydroxide; for 1h; Heating; pH 10.0;

DOI:10.1021/jm00396a037

upstream raw materials:

β-Propiolactone

4-cyanophenol

chloropropionic acid

Downstream raw materials:

3-(4-Cyano-phenoxy)-thiopropionic acid S-tert-butyl ester

3-(4-cyanophenoxy)propanoic acid, methyl ester

3-(4-aminomethyl-phenoxy)-propionic acid

3,4-dihydro-4-oxo-2H-1-benzopyran-6-carbonitrile