3-Ureidopropionic acid

Base Information

• Chemical Name: 3-Ureidopropionic acid
• CAS No.: 462-88-4
• Molecular Formula: C4H8N2O3
• Molecular Weight: 132.119
• Hs Code.: 2924199090
• European Community (EC) Number: 820-838-8
• NSC Number: 65768
• UNII: C24QL9BQ36
• DSSTox Substance ID: DTXSID60196771
• Nikkaji Number: J39.569B
• Wikipedia: 3-Ureidopropionic_acid
• Wikidata: Q3008585
• Metabolomics Workbench ID: 37033
• ChEMBL ID: CHEMBL20962
• Mol file: 462-88-4.mol

Synonyms:beta-ureidopropionate;beta-ureidopropionic acid;ion(-1) of N-carbamoyl-beta-alanine;N-carbamoyl-beta-alanine

Chemical Property of 3-Ureidopropionic acid

Chemical Property:

• Vapor Pressure: 4.87E-05mmHg at 25°C
• Melting Point: 170-175 °C (dec.)
• Boiling Point: 324.8 °C at 760 mmHg
• PKA: pK1: 4.99(+1) (25°C)
• Flash Point: 150.2 °C
• PSA: 92.42000
• Density: 1.337 g/cm³
• LogP: 0.22060
• Storage Temp.: Store at RT.
• Solubility.: DMSO, Methanol
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.05349212
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

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

3-Ureidopropionic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNC(=O)N)C(=O)O
• Uses: A Uracil metabolite, and a vital compound in linking uracil to β-Alanine metabolism A Uracil metabolite, and a vital compound in linking uracil to β-Alanine metabolism.

Technology Process of 3-Ureidopropionic acid

There total 10 articles about 3-Ureidopropionic 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%

potassium cyanate (590-28-3) + 3-amino propanoic acid (107-95-9) → N-carbamoyl-β-alanine (462-88-4)

Guidance literature:

potassium cyanate; 3-amino propanoic acid; In water; for 0.333333h; Heating;

With hydrogenchloride; In water; at 20 ℃; for 7h;

DOI:10.1023/A:1022473004714

Reference yield: 96.0%

potassium cyanate + 3-amino propanoic acid (107-95-9) → N-carbamoyl-β-alanine (462-88-4)

Guidance literature:

With hydrogenchloride; water; for 0.333333h; pH=3; Heating;

DOI:10.1070/MC2001v011n01ABEH001357

Reference yield:

N-(3-methoxycarbonyl-propionylcarbamoyl)-β-alanine methyl ester → methanol (67-56-1) + N-carbamoyl-β-alanine (462-88-4) + succinic acid (110-15-6)

Guidance literature:

upstream raw materials:

5,6-dhydrouracil

1-methyl-4-nitrosobenzene

N-carbamoyl-β-alanine methyl ester

uridine-3'-phosphate

Downstream raw materials:

5,6-dhydrouracil

C₂₄H₂₈N₄O₄

methyl 3-(4,6-diethyl-2-oxo-3a,6a-diphenyl-5-thioxooctahydroimidazo[4,5-d]imidazol-1-yl)propanoate

benzil

Refernces

• 1、 Kravchenko,Maksareva,Belyakov,Sigachev,Chegaev,Lyssenko,Lebedev,Makhova. "Synthesis of 2-monofunctionalized 2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7- diones". . p. 192 - 197. Retrieved 2007/10/03.
• 2、 Chegaev,Kravchenko,Lebedev,Strelenko. "New functional glycoluril derivatives". . p. 32 - 33. Retrieved 2007/10/03.