Cas no 953079-94-2 (Pyrrolidine-3-carboxylic acid hydrochloride)

Pyrrolidine-3-carboxylic acid hydrochloride is a versatile heterocyclic building block widely used in pharmaceutical and organic synthesis. This compound features a pyrrolidine ring with a carboxylic acid functional group at the 3-position, enhanced by hydrochloride salt formation for improved stability and solubility. Its rigid scaffold and chiral center make it valuable for designing bioactive molecules, particularly in medicinal chemistry for drug discovery. The hydrochloride form ensures consistent handling and storage properties. Applications include intermediates for peptidomimetics, enzyme inhibitors, and ligands in asymmetric catalysis. High purity grades are available to meet stringent research and industrial requirements.
Pyrrolidine-3-carboxylic acid hydrochloride structure
953079-94-2 structure
Product Name:Pyrrolidine-3-carboxylic acid hydrochloride
CAS No:953079-94-2
MF:C5H10ClNO2
MW:151.591400623322
MDL:MFCD06801272
CID:820684
PubChem ID:44890816
Update Time:2025-05-20

Pyrrolidine-3-carboxylic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Pyrrolidine-3-carboxylic acid hydrochloride
    • DL-beta-Proline hydrochloride
    • 3-Pyrrolidinecarboxylic acid hydrochloride
    • beta-Proline hydrochloride
    • Pyrrolidine-3-carboxylic acid, HCl
    • SB10227
    • AKOS008901222
    • SB10226
    • MFCD09954283
    • BETA-PROLINE HCL
    • Z1741969245
    • MFCD06801272
    • PB10622
    • SCHEMBL2323610
    • AC-24626
    • EN300-216110
    • Pyrrolidine-3-carboxylic acid--hydrogen chloride (1/1)
    • 953079-94-2
    • (R)-(?)-Pyrrolidine-3-carboxylic acid
    • pyrrolidine-3-carboxylicacidhydrochloride
    • DTXSID60661338
    • (RS)-pyrrolidine-3-carboxylic acid hydrochloride
    • J-524164
    • BCP22281
    • 3-pyrrolidine carboxylic acid hydrochloride
    • (S)-(+)-Pyrrolidine-3-carboxylic acid hydrochloride;?(S)-beta-Proline hydrochloride
    • SY234046
    • Pyrrolidine-3-carboxylic acid hydrochloride, 95%
    • 3-Pyrrolidinecarboxylic acid, hydrochloride (1:1)
    • pyrrolidine-3-carboxylic acid;hydrochloride
    • OYCLYMMIZJWYJG-UHFFFAOYSA-N
    • DS-0710
    • 3-Pyrrolidinecarboxylic Acid HCl
    • MDL: MFCD06801272
    • Inchi: 1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
    • InChI Key: OYCLYMMIZJWYJG-UHFFFAOYSA-N
    • SMILES: Cl.O=C(C1CCNC1)O

Computed Properties

  • Exact Mass: 151.04000
  • Monoisotopic Mass: 151.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 103
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.3A^2

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Melting Point: 33-38?°C
  • Boiling Point: 282.4°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • PSA: 49.33000
  • LogP: 0.81130

Pyrrolidine-3-carboxylic acid hydrochloride Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:2
  • Hazard Category Code: 41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:2-8°C

Pyrrolidine-3-carboxylic acid hydrochloride Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Pyrrolidine-3-carboxylic acid hydrochloride

Introduction to Pyrrolidine-3-carboxylic acid hydrochloride (CAS No. 953079-94-2)

Pyrrolidine-3-carboxylic acid hydrochloride, identified by the Chemical Abstracts Service (CAS) number 953079-94-2, is a significant compound in the realm of pharmaceutical and biochemical research. This compound, featuring a pyrrolidine core structure with a carboxylic acid functional group at the third position and its hydrochloride salt form, has garnered attention due to its versatile applications in drug discovery and molecular chemistry.

The pyrrolidine scaffold is a common motif in natural products and bioactive molecules, contributing to its prevalence in medicinal chemistry. The introduction of a carboxylic acid group at the third position enhances the compound's reactivity, making it a valuable intermediate in synthetic pathways. Furthermore, the hydrochloride salt form improves its solubility and stability, facilitating its use in various biochemical assays and pharmaceutical formulations.

In recent years, Pyrrolidine-3-carboxylic acid hydrochloride has been extensively studied for its potential role in developing novel therapeutic agents. Its structural features make it a promising candidate for modulating biological pathways associated with neurological disorders, inflammation, and metabolic diseases. The compound's ability to interact with specific enzymes and receptors has been explored in preclinical studies, highlighting its significance in drug design.

One of the most intriguing aspects of Pyrrolidine-3-carboxylic acid hydrochloride is its utility as a building block in the synthesis of more complex molecules. Researchers have leveraged its reactive sites to create derivatives with enhanced pharmacological properties. For instance, modifications at the carboxylic acid group have led to the development of novel inhibitors targeting enzymes involved in cancer progression. Similarly, alterations at the nitrogen atom of the pyrrolidine ring have resulted in compounds with improved binding affinities to therapeutic targets.

The hydrochloride salt form of Pyrrolidine-3-carboxylic acid hydrochloride (CAS No. 953079-94-2) offers additional advantages in pharmaceutical applications. Its crystalline structure ensures consistent purity and quality, which is crucial for clinical trials and commercial drug production. Moreover, its solubility profile allows for easy formulation into injectable solutions, oral tablets, and other dosage forms, making it adaptable to diverse therapeutic needs.

Recent advancements in computational chemistry have further enhanced the understanding of Pyrrolidine-3-carboxylic acid hydrochloride's interactions with biological systems. Molecular docking studies have revealed its potential as an antagonist for certain ion channels and as a modulator of G-protein coupled receptors (GPCRs). These findings have opened new avenues for developing treatments against conditions such as epilepsy, hypertension, and neurodegenerative diseases.

In addition to its pharmacological applications, Pyrrolidine-3-carboxylic acid hydrochloride has found utility in biochemical research. Its role as a substrate or inhibitor in enzymatic reactions has been investigated to elucidate metabolic pathways and enzyme mechanisms. This has implications for understanding disease pathogenesis and developing targeted therapies.

The synthesis of Pyrrolidine-3-carboxylic acid hydrochloride (CAS No. 953079-94-2) involves multi-step organic reactions that highlight the compound's synthetic versatility. Techniques such as reductive amination, carboxylation reactions, and salt formation are commonly employed to construct the pyrrolidine core and introduce functional groups. The optimization of these synthetic routes ensures high yields and purity, which are essential for downstream applications.

The safety profile of Pyrrolidine-3-carboxylic acid hydrochloride has been evaluated through various toxicological studies. Preliminary findings suggest that it exhibits low toxicity at therapeutic concentrations, making it a promising candidate for further clinical development. However, comprehensive safety assessments are necessary to ensure its suitability for human use.

Future research directions for Pyrrolidine-3-carboxylic acid hydrochloride include exploring its potential in combination therapies and investigating its long-term effects. The integration of this compound into novel drug candidates could revolutionize treatments for several diseases by targeting multiple biological pathways simultaneously.

In conclusion, Pyrrolidine-3-carboxylic acid hydrochloride (CAS No. 953079-94-2) is a multifaceted compound with significant implications in pharmaceutical research and drug development. Its structural features, reactivity, and potential therapeutic applications make it a valuable asset in the quest for innovative treatments across various medical fields.

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