Benzoic acid, 3-(1-pyrrolidinyl)-


Chemical Name: Benzoic acid, 3-(1-pyrrolidinyl)-
CAS Number: 72548-79-9
Product Number: AG003HZR(AGN-PC-0JUDRJ)
Synonyms:
MDL No: MFCD03426724
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Properties
MP:
215 °C
BP:
384.1 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
3.1
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



3-(Pyrrolidin-1-yl)benzoic acid is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and functional materials. In organic synthesis, 3-(Pyrrolidin-1-yl)benzoic acid acts as a key intermediate, facilitating the construction of complex molecular structures through its ability to undergo diverse chemical transformations. Its pyrrolidine moiety confers stereochemical control, enabling the production of chiral molecules with high enantiomeric purity. Additionally, the benzoic acid functionality imparts reactivity and compatibility for further modifications, making it a valuable tool for the rational design and synthesis of bioactive compounds and advanced materials. By strategically incorporating 3-(Pyrrolidin-1-yl)benzoic acid into synthetic pathways, chemists can access a wide range of structurally diverse molecules with tailored properties and functionalities.