Cas no 773109-06-1 (1-(2-carboxyphenyl methyl) piperazine)

1-(2-Carboxyphenyl methyl) piperazine is a piperazine derivative featuring a carboxyl-functionalized phenyl group, offering versatile reactivity for synthetic applications. Its structural framework enables use as a key intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of bioactive molecules. The carboxyl group enhances solubility and facilitates further functionalization, making it valuable for coupling reactions or chelation. This compound exhibits stability under standard conditions, ensuring reliable handling and storage. Its balanced lipophilicity and polarity contribute to favorable pharmacokinetic properties in drug design. The presence of both aromatic and aliphatic nitrogen centers allows for diverse interaction modes, supporting its utility in catalyst systems or ligand design.
1-(2-carboxyphenyl methyl) piperazine structure
773109-06-1 structure
Product Name:1-(2-carboxyphenyl methyl) piperazine
CAS No:773109-06-1
MF:C12H16N2O2
MW:220.267642974854
MDL:MFCD25372076
CID:1783821
PubChem ID:44828719
Update Time:2025-05-20

1-(2-carboxyphenyl methyl) piperazine Chemical and Physical Properties

Names and Identifiers

    • 2-(piperazin-1-ylmethyl)benzoic acid
    • LogP
    • 1-(2-CARBOXYPHENYL METHYL) PIPERAZINE
    • DTXSID60660861
    • 773109-06-1
    • 1-(2-Carboxyphenyl methyl)piperazine
    • W18910
    • 2-[(Piperazin-1-yl)methyl]benzoic acid
    • BS-41783
    • EN300-1196802
    • 2-(1-piperazinylmethyl)benzoic acid
    • CS-0269640
    • AKOS010657664
    • 1-(2-carboxyphenyl methyl) piperazine
    • MDL: MFCD25372076
    • Inchi: 1S/C12H16N2O2/c15-12(16)11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2,(H,15,16)
    • InChI Key: VEISIQSZCSRJKA-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC=CC=1CN1CCNCC1)=O

Computed Properties

  • Exact Mass: 220.121
  • Monoisotopic Mass: 220.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: -1.7

Experimental Properties

  • Density: 1.195
  • Boiling Point: 376.948°C at 760 mmHg
  • Flash Point: 181.772°C
  • Refractive Index: 1.581

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Additional information on 1-(2-carboxyphenyl methyl) piperazine

1-(2-Carboxyphenyl Methyl) Piperazine: A Comprehensive Overview

1-(2-Carboxyphenyl Methyl) Piperazine, also known by its CAS number 773109-06-1, is a compound of significant interest in the fields of organic chemistry and pharmacology. This molecule is characterized by its unique structure, which combines a piperazine ring with a 2-carboxyphenyl methyl group. The piperazine moiety, a six-membered ring containing two nitrogen atoms, is a common structural element in various pharmaceutical agents due to its ability to form hydrogen bonds and interact with biological targets. The 2-carboxyphenyl group introduces additional functionality, enhancing the compound's potential for various applications.

The synthesis of 1-(2-Carboxyphenyl Methyl) Piperazine typically involves a multi-step process, often starting with the preparation of the 2-carboxyphenyl methyl group. This is achieved through the reaction of 2-carboxybenzaldehyde with appropriate reducing agents or through coupling reactions. The piperazine ring can be introduced via nucleophilic substitution or other cyclization techniques. Recent advancements in catalytic methods and green chemistry have made the synthesis of this compound more efficient and environmentally friendly.

1-(2-Carboxyphenyl Methyl) Piperazine has been explored for its potential in drug discovery, particularly in the development of agents targeting central nervous system disorders. The compound's ability to modulate neurotransmitter systems, such as dopamine and serotonin, has been a focal point of recent research. Studies have shown that this molecule exhibits promising activity in preclinical models of depression and anxiety, suggesting its potential as a lead compound for antidepressant or anxiolytic drugs.

In addition to its pharmacological applications, 1-(2-Carboxyphenyl Methyl) Piperazine has also been investigated for its role in materials science. The compound's ability to form supramolecular assemblies through hydrogen bonding has led to its use in the development of self-healing polymers and stimuli-responsive materials. Recent research has focused on optimizing the mechanical properties of these materials by incorporating this compound into polymer networks.

The structural versatility of 1-(2-Carboxyphenyl Methyl) Piperazine makes it an attractive candidate for further exploration in organic synthesis. Its ability to act as both a nucleophile and an electrophile allows for a wide range of reactions, including alkylation, acylation, and coupling reactions. Recent studies have demonstrated the utility of this compound in the construction of complex heterocyclic frameworks, which are valuable in medicinal chemistry.

1-(2-Carboxyphenyl Methyl) Piperazine has also gained attention for its potential in catalysis. The nitrogen atoms within the piperazine ring can coordinate with metal ions, making this compound useful as a ligand in transition metal-catalyzed reactions. Recent research has highlighted its role in asymmetric catalysis, where it facilitates enantioselective transformations that are critical in drug synthesis.

In conclusion, 1-(2-Carboxyphenyl Methyl) Piperazine, with its unique structure and diverse functional groups, continues to be a subject of intense research across multiple disciplines. Its applications span from drug discovery to materials science, with ongoing studies focusing on optimizing its properties for practical use. As new methodologies and technologies emerge, the potential of this compound is expected to expand further, contributing to advancements in both academic and industrial settings.

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