Cas no 530092-32-1 (2-Methyl-4-(pyrrolidin-1-yl) benzoic acid)

2-Methyl-4-(pyrrolidin-1-yl) benzoic acid is a benzoic acid derivative featuring a pyrrolidine substituent at the para position and a methyl group at the ortho position. This compound is of interest in pharmaceutical and organic synthesis due to its structural versatility, serving as a key intermediate in the development of bioactive molecules. The pyrrolidine moiety enhances solubility and bioavailability, while the benzoic acid framework provides a stable scaffold for further functionalization. Its well-defined chemical properties make it suitable for applications in medicinal chemistry, particularly in the design of receptor-targeting ligands. The compound is typically characterized by high purity and consistent performance in synthetic workflows.
2-Methyl-4-(pyrrolidin-1-yl) benzoic acid structure
530092-32-1 structure
Product Name:2-Methyl-4-(pyrrolidin-1-yl) benzoic acid
CAS No:530092-32-1
MF:C12H15NO2
MW:205.253003358841
CID:839118
Update Time:2026-04-29

2-Methyl-4-(pyrrolidin-1-yl) benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid
    • Benzoic acid, 2-methyl-4-(1-pyrrolidinyl)-
    • Inchi: InChI=1S/C12H15NO2/c1-9-8-10(13-6-2-3-7-13)4-5-11(9)12(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
    • InChI Key: QURJBOJPCIBSDM-UHFFFAOYSA-N
    • SMILES: CC1=CC(=CC=C1C(=O)O)N2CCCC2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2

Experimental Properties

  • Density: 1.188
  • Boiling Point: 401 oC
  • Flash Point: 196 oC

2-Methyl-4-(pyrrolidin-1-yl) benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM133282-1g
2-methyl-4-(pyrrolidin-1-yl)benzoic acid
530092-32-1 97%
1g
$351 2021-08-05
Chemenu
CM133282-1g
2-methyl-4-(pyrrolidin-1-yl)benzoic acid
530092-32-1 97%
1g
$413 2024-07-15
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1536430-1g
2-Methyl-4-(pyrrolidin-1-yl)benzoic acid
530092-32-1 98%
1g
¥3252.00 2024-05-10

Additional information on 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid

Introduction to 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid (CAS No. 530092-32-1)

2-Methyl-4-(pyrrolidin-1-yl) benzoic acid, identified by its Chemical Abstracts Service (CAS) number 530092-32-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the class of benzoic acid derivatives, characterized by its structural incorporation of a methyl group at the 2-position and a pyrrolidin-1-yl moiety at the 4-position. The unique combination of these functional groups imparts distinct chemical properties and biological activities, making it a subject of considerable interest for researchers exploring novel therapeutic agents.

The molecular structure of 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid consists of a benzene ring substituted with a methyl group at the 2-position and an N-substituted pyrrolidine ring attached to the 4-position. This configuration creates a molecule with potential for diverse interactions with biological targets, including enzymes and receptors. The presence of the pyrrolidin-1-yl group, in particular, is noteworthy as it is frequently employed in medicinal chemistry to enhance solubility, improve pharmacokinetic profiles, and modulate binding affinities.

In recent years, there has been growing interest in exploring the pharmacological potential of benzoic acid derivatives. These compounds have shown promise in various therapeutic areas, including anti-inflammatory, analgesic, and anticancer applications. The structural features of 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid suggest that it may exhibit similar properties, although further research is required to fully elucidate its biological activity.

One of the most compelling aspects of this compound is its potential as a lead molecule for drug discovery. The pyrrolidinyl moiety can serve as a hinge-binding motif, allowing the compound to interact with specific protein targets. This feature has been exploited in the development of kinase inhibitors, which are critical in treating cancers and inflammatory diseases. Additionally, the benzoic acid core is known to possess antioxidant and anti-inflammatory properties, further enhancing the therapeutic potential of 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid.

Recent studies have begun to explore the interactions between benzoic acid derivatives and various biological pathways. For instance, research has indicated that certain benzoic acid analogs can modulate the activity of cyclooxygenase (COX) enzymes, which are key players in inflammation. While 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid has not yet been directly studied for COX inhibition, its structural similarity suggests that it may share this property. Further investigation could reveal novel mechanisms of action and expand its therapeutic applications.

The synthesis of 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid presents an interesting challenge for organic chemists due to its complex structure. Traditional synthetic routes involve multi-step reactions, including functional group transformations and protecting group strategies. However, advances in synthetic methodology have made it possible to streamline these processes, making large-scale production more feasible. Techniques such as palladium-catalyzed cross-coupling reactions have been particularly useful in constructing the pyrrolidinyl moiety efficiently.

The pharmacokinetic profile of 2-Methyl-4-(pyrrolidin-1-yl) benzoic acid is another area of active investigation. Understanding how a compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for determining its clinical efficacy and safety. Preliminary studies suggest that the pyrrolidinyl group may enhance oral bioavailability by improving solubility and permeability across biological membranes. Additionally, metabolic studies indicate that the compound undergoes biotransformation via standard pathways involving cytochrome P450 enzymes.

In conclusion,2-Methyl-4-(pyrrolidin-1-yl) benzoic acid (CAS No. 530092-32-1) represents a promising candidate for further pharmacological exploration. Its unique structural features offer potential for diverse biological activities, particularly in the realms of anti-inflammatory and anticancer therapies. As research continues to uncover new therapeutic targets and synthetic methodologies,2-Methyl-4-(pyrrolidin-1-yllbenzoicacid is poised to play an important role in the development of next-generation pharmaceuticals.

Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd