Benzoic acid, 2-(1-pyrrolidinyl)-


Chemical Name: Benzoic acid, 2-(1-pyrrolidinyl)-
CAS Number: 78648-27-8
Product Number: AG003EPW(AGN-PC-0NJZ64)
Synonyms:
MDL No: MFCD09035985
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Properties
BP:
351.876 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
191.095g/mol
Monoisotopic Mass:
191.095g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
211
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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



2-(Pyrrolidin-1-yl)benzoic acid is a versatile compound widely used in chemical synthesis as a key building block in the development of pharmaceuticals, agrochemicals, and materials science. Its unique structure enables functionalization at both the pyrrolidine and benzoic acid moieties, allowing for the creation of diverse molecular structures with specific properties. In medicinal chemistry, this compound is frequently employed in the synthesis of drug candidates targeting various therapeutic areas such as central nervous system disorders, inflammation, and cancer. Furthermore, its compatibility with a range of synthetic methods makes it a valuable tool for exploring new reaction pathways and designing novel molecules with desired biological activities. In materials science, 2-(Pyrrolidin-1-yl)benzoic acid can serve as a precursor for the preparation of functional polymers, liquid crystals, and molecular sensors. Its presence in the chemical toolbox offers researchers the flexibility to tailor molecular structures for specific applications, making it a crucial component in the field of organic synthesis and drug discovery.