4-Morpholinepropanoic acid, phenyl ester

Base Information

• Chemical Name: 4-Morpholinepropanoic acid, phenyl ester
• CAS No.: 62131-51-5
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.27900
• DSSTox Substance ID: DTXSID60476287
• Wikidata: Q82307378
• Mol file: 62131-51-5.mol

Synonyms:4-Morpholinepropanoic acid, phenyl ester;62131-51-5;DTXSID60476287

Chemical Property of 4-Morpholinepropanoic acid, phenyl ester

Chemical Property:

• PSA: 38.77000
• LogP: 1.25220
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1CCC(=O)OC2=CC=CC=C2

Technology Process of 4-Morpholinepropanoic acid, phenyl ester

There total 2 articles about 4-Morpholinepropanoic acid, phenyl ester 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: 95.0%

morpholine (110-91-8,99108-56-2) + phenyl acrylate (937-41-7) → phenyl 3-morpholinopropionate (62131-51-5)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 0.75h;

DOI:10.1055/s-2003-38345

Reference yield:

→ phenyl 3-morpholinopropionate (62131-51-5)

Guidance literature:

aus dem Acrylester und Morpholin;

Reference yield:

phenyl 3-morpholinopropionate (62131-51-5) → 3-morpholin-4-ylpropionic acid (4497-04-5) + phenol (108-95-2,27073-41-2)

Guidance literature:

With water; In dimethyl sulfoxide; Rate constant; further solvent: EtOH, no solvent; k_{70percentDMSO}/k_{70percentEtOH} at 30 deg C;

upstream raw materials:

morpholine

phenyl acrylate

Downstream raw materials:

3-morpholin-4-ylpropionic acid

phenol

Refernces