3-[(Anilinocarbonyl)amino]propanoic acid

Base Information

• Chemical Name: 3-[(Anilinocarbonyl)amino]propanoic acid
• CAS No.: 10250-66-5
• Molecular Formula: C10H12 N2 O3
• Molecular Weight: 208.217
• Hs Code.: 2924299090
• NSC Number: 87167
• DSSTox Substance ID: DTXSID20293093
• Nikkaji Number: J2.049.898F
• Wikidata: Q82031688
• Mol file: 10250-66-5.mol

Synonyms:10250-66-5;3-[(anilinocarbonyl)amino]propanoic acid;3-(phenylcarbamoylamino)propanoic acid;3-[(phenylcarbamoyl)amino]propanoic acid;beta-Alanine, N-[(phenylamino)carbonyl]-;3-(3-Phenylureido)propanoic acid;NSC87167;Maybridge4_002867;NCIOpen2_005163;Oprea1_846198;SCHEMBL20335072;3-(3-Phenylureido)propanoicacid;DTXSID20293093;HMS1529C07;3-(3-phenylureido) propanoic acid;MFCD00099344;NSC-87167;AKOS000264531;NCGC00176468-01;|A-Alanine, N-[(phenylamino)carbonyl]-;CS-0221302;EN300-08819;3-[(anilinocarbonyl)amino]propanoic acid, AldrichCPR;BRD-K14803722-001-01-1;Z56760697

Chemical Property of 3-[(Anilinocarbonyl)amino]propanoic acid

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 385.9°Cat760mmHg
• Flash Point: 187.2°C
• PSA: 78.43000
• Density: 1.309g/cm³
• LogP: 1.74670
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-[(Phenylcarbamoyl)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)NC(=O)NCCC(=O)O

Technology Process of 3-[(Anilinocarbonyl)amino]propanoic acid

There total 11 articles about 3-[(Anilinocarbonyl)amino]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: 91.0%

phenyl isocyanate (103-71-9) + 3-amino propanoic acid (107-95-9) → 3-(3-phenylureido)propanoic acid (10250-66-5)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 72h; Inert atmosphere;

DOI:10.1002/ejoc.201200516

Reference yield: 88.0%

phenyl isocyanate (103-71-9) + 3-amino propanoic acid (107-95-9) → 3-(3-phenylureido)propanoic acid (10250-66-5) + bis(diphenyl)urea (102-07-8)

Guidance literature:

With potassium hydroxide; sulfuric acid; In acetic acid methyl ester; Ambient temperature;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + N-(N-phenylcarbamoyl-β-alanyl)-glycine anilide → 3-(3-phenylureido)propanoic acid (10250-66-5) + glycine (56-40-6,18875-39-3,25718-94-9)

Guidance literature:

at 100 ℃;

upstream raw materials:

N-phenylcarbamoyl-β-alanine methyl ester

N-phenylcarbamoyl-β-alanine ethyl ester

phenyl carbamate

3-amino propanoic acid

Downstream raw materials:

N-phenylcarbamoyl-β-alanine ethyl ester

3-phenyl-dihydro-pyrimidine-2,4-dione

C₁₀H₁₁N₃O₄

C₁₀H₁₁N₃O₄

Refernces

• 1、 Lutsenko, V. V.,Klimavichyus, K.-A. V.. "NITROSATION OF N'-SUBSTITUTED 3- AND 4-UREIDOALKANOIC ACIDS". . p. 1905 - 1908. Retrieved 2007/10/02.