3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-


Chemical Name: 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-
CAS Number: 5733-86-8
Product Number: AG003E08(AGN-PC-0JM3DD)
Synonyms:
MDL No:
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365

Identification/Properties


Properties
MP:
142.0 to 146.0 °C
BP:
471.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
219.24g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
219.09g/mol
Monoisotopic Mass:
219.09g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
284
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



1-Benzyl-5-oxo-3-pyrrolidinecarboxylic Acid is a versatile compound widely utilized in chemical synthesis as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. This compound serves as a crucial building block in the synthesis of various complex molecules due to its unique structural features and reactivity.In chemical synthesis, 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic Acid can be utilized as a precursor for the construction of heterocyclic compounds, which are essential frameworks found in many bioactive molecules. Its functional groups enable it to undergo various transformations such as substitution, addition, and cyclization reactions, allowing for the efficient generation of structurally diverse molecules.Additionally, this compound can act as a key component in the formation of peptide derivatives and prodrugs through selective modifications of its carboxylic acid and amino groups. These derivatives have potential applications in the development of new pharmaceuticals with improved bioavailability and targeted delivery.Overall, the strategic placement of functional groups in 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic Acid makes it an invaluable tool in chemical synthesis for the creation of complex molecules with diverse functionalities and applications.