3-(4-Carbamoylphenoxy)propanoic acid

Base Information

• Chemical Name: 3-(4-Carbamoylphenoxy)propanoic acid
• CAS No.: 111140-92-2
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20553205
• Wikidata: Q82433739
• Mol file: 111140-92-2.mol

Synonyms:111140-92-2;3-(4-CARBAMOYLPHENOXY)PROPANOIC ACID;3-(4-CARBAMOYLPHENOXY)PROPIONIC ACID;DTXSID20553205;AC2940;MFCD09948835;AKOS000191878;SY008362;3-(4-CARBAMOYLPHENOXY)PROPANOICACID;CS-0217712;EN300-83046;Z295406170

Chemical Property of 3-(4-Carbamoylphenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 409.206oC at 760 mmHg
• Flash Point: 201.281oC
• PSA: 89.62000
• Density: 1.309g/cm3
• LogP: 1.33930
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Carbamoylphenoxy)propanoic acid

There total 1 articles about 3-(4-Carbamoylphenoxy)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: 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

Reference yield: 54.0%

Boc-Dap(NH2)-CONHPr + 3-<4-(aminocarbonyl)phenoxy>propanoic acid (111140-92-2) → C21H32N4O6

Guidance literature:

3-<4-(aminocarbonyl)phenoxy>propanoic acid; With 1-hydroxy-pyrrolidine-2,5-dione; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Boc-Dap(NH₂)-CONHPr; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jacs.8b08039

Reference yield: 50.0%

Boc-Dap(NH2)-CONH2 (75452-33-4) + 3-<4-(aminocarbonyl)phenoxy>propanoic acid (111140-92-2) → C18H26N4O6

Guidance literature:

3-<4-(aminocarbonyl)phenoxy>propanoic acid; With 1-hydroxy-pyrrolidine-2,5-dione; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Boc-Dap(NH₂)-CONH₂; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jacs.8b08039

upstream raw materials:

chloropropionic acid

4-cyanophenol