2-[(Aminocarbonyl)amino]-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-[(Aminocarbonyl)amino]-3-phenylpropanoic acid
• CAS No.: 37534-65-9
• Molecular Formula: C₁₀H₁₂N₂O₃
• Molecular Weight: 208.217
• Hs Code.: 2924299090
• European Community (EC) Number: 832-863-1
• DSSTox Substance ID: DTXSID60388199
• Nikkaji Number: J27.559J
• ChEMBL ID: CHEMBL2137924
• Mol file: 37534-65-9.mol

Synonyms:37534-65-9;2-[(aminocarbonyl)amino]-3-phenylpropanoic acid;2-(carbamoylamino)-3-phenylpropanoic acid;N-CARBAMYL-DL-PHENYLALANINECRYSTALLINE;Oprea1_162467;Oprea1_479319;MLS000057521;N-car-bamoyl-dl-phenylalanine;SCHEMBL1012022;CHEMBL2137924;2-Ureido-3-phenylpropanoic acid;DTXSID60388199;HMS2390J05;HMS3604G14;BBL028073;STK661580;AKOS000263889;AKOS016881433;SMR000064188;VS-08657;CS-0230349;EN300-10336;SR-01000532644;SR-01000532644-1;Z57009603

Chemical Property of 2-[(Aminocarbonyl)amino]-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 2.44E-07mmHg at 25°C
• Boiling Point: 406.6°Cat760mmHg
• Flash Point: 199.7°C
• PSA: 93.41000
• Density: g/cm³
• LogP: 1.25530
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98% ^*data from raw suppliers

2-(carbamoylamino)-3-phenylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)N

Technology Process of 2-[(Aminocarbonyl)amino]-3-phenylpropanoic acid

There total 10 articles about 2-[(Aminocarbonyl)amino]-3-phenylpropanoic 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: 96.0%

3-phenyl-2-ureido-propionic acid benzyl ester → D-2-carbamoylamino-3-phenylpropionic acid (37534-65-9,173243-89-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 2h;

DOI:10.1016/S0968-0896(00)00235-2

Reference yield: 63.0%

potassium cyanate (590-28-3) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → D-2-carbamoylamino-3-phenylpropionic acid (37534-65-9,173243-89-5)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c8ra03761b

Reference yield: 42.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → D-2-carbamoylamino-3-phenylpropionic acid (37534-65-9,173243-89-5)

Guidance literature:

upstream raw materials:

5-phenylimidazolidine-2,4-dione

Citrulline

Phenylalanine

N-carbamoylglycine

Downstream raw materials:

5-phenylimidazolidine-2,4-dione

4-benzyl-oxazolidine-2,5-dione

L-phenylalanine

5-benzyl-hydantoin

Refernces

• 1、 Chung, Sang J.,Kim, Dong H.. "N-(Hydroxyaminocarbonyl)phenylalanine: A novel class of inhibitor for carboxypeptidase A". . p. 185 - 189. Retrieved 2007/10/03.