3-(3-Benzylureido)propanoic acid

Base Information

• Chemical Name: 3-(3-Benzylureido)propanoic acid
• CAS No.: 71274-38-9
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.244
• Hs Code.: 2924299090
• European Community (EC) Number: 965-479-9
• DSSTox Substance ID: DTXSID20585405
• Wikidata: Q82477366
• Mol file: 71274-38-9.mol

Synonyms:3-(3-benzylureido)propanoic acid;71274-38-9;3-{[(benzylamino)carbonyl]amino}propanoic acid;3-(benzylcarbamoylamino)propanoic acid;3-[(benzylcarbamoyl)amino]propanoic acid;3-[[(Benzylamino)carbonyl]amino]propanoic acid;3-([(BENZYLAMINO)CARBONYL]AMINO)PROPANOIC ACID;SCHEMBL288999;3-(3-benzylureido)propanoicacid;DTXSID20585405;N-(Benzylcarbamoyl)-beta-alanine;ZKXWPAGHEVGPNO-UHFFFAOYSA-N;AMY21543;AKOS000200220;CCG-295278;CS-0242890;EN300-25657;E84780;A934474;3-{[(BENZYLAMINO)CARBONYL]AMINO}PROPANOICACID;Z212063110

Chemical Property of 3-(3-Benzylureido)propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 514.421°C at 760 mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 264.912°C
• PSA: 81.92000
• Density: 1.227g/cm³
• LogP: 1.55580
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

3-[(benzylcarbamoyl)amino]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)NCCC(=O)O

Technology Process of 3-(3-Benzylureido)propanoic acid

There total 1 articles about 3-(3-Benzylureido)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:

N-benzylcarbamoyl-β-alanine ethyl ester (92033-49-3) → N-benzylcarbamoyl-β-alanine (71274-38-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1007/BF00900623

Reference yield:

N-benzylcarbamoyl-β-alanine (71274-38-9) → 3-benzyldihydropyrimidine-2,4(1H,3H)-dione (21038-70-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1007/BF00900623

upstream raw materials:

N-benzylcarbamoyl-β-alanine ethyl ester

Downstream raw materials:

3-benzyldihydropyrimidine-2,4(1H,3H)-dione