Cas no 1049740-49-9 ((±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride)

(±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride is a chiral pyrrolidine derivative commonly used as a key intermediate in pharmaceutical synthesis and organic chemistry research. Its rigid trans-configuration and isopropyl substitution enhance stereochemical control in asymmetric reactions, making it valuable for constructing complex molecular frameworks. The hydrochloride salt form improves stability and solubility in aqueous and polar organic solvents. This compound is particularly useful in the development of bioactive molecules, including peptidomimetics and enzyme inhibitors, due to its constrained conformation and functional group versatility. High-purity grades are available to ensure reproducibility in synthetic applications. Proper handling under inert conditions is recommended to maintain integrity.
(±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride structure
1049740-49-9 structure
Product Name:(±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride
CAS No:1049740-49-9
MF:C8H16ClNO2
MW:193.671141624451
CID:2199839
PubChem ID:2762214
Update Time:2025-06-12

(±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (+/-)-TRANS-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
    • (+/-)-trans-4-isopropyl-pyrrolidine-3-carboxylic acid-HCl
    • (±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride
    • 3-?Pyrrolidinecarboxyli?c acid, 4-?(1-?methylethyl)?-?, hydrochloride (1:1)?, (3S,?4S)?-
    • H-trans-DL-b-Pro-4-(isopropyl)-OH·HCl
    • H-TRANS-DL-PRO(ISOPROPYL)-OH HCL
    • (3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid hydrochloride
    • 1049740-49-9
    • AKOS015949632
    • (3S,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
    • (3S,4S)-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLIC ACID HCL
    • (3S,4S)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid hydrochloride
    • (3S,4S)-4-Isopropylpyrrolidine-3-carboxylicacidhydrochloride
    • (3S,4S)-4-(1-Methylethyl)-3-pyrrolidinecarboxylic Acid Hydrochloride
    • PS-12747
    • Inchi: 1S/C8H15NO2.ClH/c1-5(2)6-3-9-4-7(6)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t6-,7+;/m0./s1
    • InChI Key: KQUQFLJSGGPCAU-UOERWJHTSA-N
    • SMILES: Cl.OC([C@@H]1CNC[C@H]1C(C)C)=O

Computed Properties

  • Exact Mass: 193.0869564g/mol
  • Monoisotopic Mass: 193.0869564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 156
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.3?2

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(±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride Related Literature

Additional information on (±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride

Introduction to (±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride (CAS No. 1049740-49-9)

(±)-trans-4-Isopropylpyrrolidine-3-carboxylic Acid Hydrochloride is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and development. This compound, identified by its CAS number 1049740-49-9, is a hydrochloride salt derived from the pyrrolidine core structure, featuring an isopropyl substituent at the 4-position and a carboxylic acid group at the 3-position. Its unique molecular architecture makes it a valuable intermediate in the synthesis of various bioactive molecules, particularly those targeting neurological and cardiovascular pathways.

The< strong>hydrochloride salt form of this compound enhances its solubility in aqueous solutions, making it more suitable for formulation in drug delivery systems. This property is particularly advantageous in pharmaceutical applications where bioavailability and stability are critical factors. The compound's chiral center, represented by the (±) designation, indicates that it exists as a racemic mixture of both enantiomers, which can influence its pharmacological activity and metabolic behavior.

In recent years, there has been growing interest in exploring the potential of< strong>pyrrolidine derivatives as pharmacological agents. These derivatives have shown promise in various therapeutic areas, including central nervous system (CNS) disorders, inflammation, and metabolic diseases. The presence of the isopropyl group in (±)-trans-4-isopropylpyrrolidine-3-carboxylic acid hydrochloride contributes to its ability to interact with biological targets, such as enzymes and receptors, thereby modulating cellular processes.

One of the most compelling aspects of this compound is its role as a building block in the synthesis of more complex molecules. Researchers have leveraged its structural features to develop novel scaffolds for drug discovery programs. For instance, studies have demonstrated its utility in creating analogs with enhanced binding affinity and selectivity for specific biological targets. This underscores the importance of< strong>intermediate compounds like this one in accelerating the development of new therapeutic agents.

The< strong>pharmacological profile of (±)-trans-4-isopropylpyrrolidine-3-carboxylic acid hydrochloride has been the subject of several preclinical studies. These investigations have revealed intriguing insights into its potential mechanisms of action. For example, preliminary data suggest that it may exert effects on neurotransmitter systems relevant to anxiety and depression. Additionally, its interaction with cardiovascular receptors has been explored, hinting at possible applications in managing conditions such as hypertension and atherosclerosis.

The synthesis of< strong>CAS No. 1049740-49-9 involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic techniques, including catalytic hydrogenation and asymmetric synthesis, have been employed to optimize the production process. These methods not only enhance efficiency but also minimize waste generation, aligning with sustainable chemistry principles.

In terms of analytical characterization, (±)-trans-4-isopropylpyrrolidine-3-carboxylic acid hydrochloride exhibits distinct spectral properties that can be exploited for identification and quantification purposes. High-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry (MS) are commonly used techniques for confirming its structure and purity. These analytical methods are essential for ensuring that the compound meets stringent quality standards before it is used in further research or development.

The< strong>drug discovery landscape continues to evolve rapidly, with an increasing emphasis on targeted therapies and personalized medicine. Compounds like this one play a crucial role in this context by providing starting points for designing molecules with specific therapeutic profiles. By understanding their structural features and biological activities, researchers can fine-tune their properties to meet unmet medical needs.

The< strong>safety profile of (±)-trans-4-isopropylpyrrolidine-3-carboxylic acid hydrochloride has been evaluated through toxicological studies conducted on cell cultures and animal models. These assessments aim to determine its potential side effects and establish safe dosage ranges. While further research is needed to fully understand its long-term effects, preliminary findings suggest that it exhibits moderate toxicity at high concentrations but remains relatively well-tolerated at therapeutic levels.

The< strong/application potential of this compound extends beyond traditional pharmaceuticals into other areas such as agrochemicals and material science. Its unique chemical properties make it a candidate for developing novel pesticides or specialty chemicals with tailored functionalities. Such interdisciplinary applications highlight the versatility of< strong>CAS No. 1049740-49-9 as a chemical entity with broad utility.

In conclusion,< strong>(±)-trans-4-isopropylpyrrolidine-3-carboxylic Acid Hydrochloride represents a promising compound with significant implications for pharmaceutical research and industrial applications. Its structural complexity, coupled with its favorable physicochemical properties, positions it as a valuable tool for drug discovery efforts aimed at addressing complex diseases. As our understanding of its pharmacology expands through ongoing research, this compound is poised to contribute to the development of next-generation therapeutics.

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