Cas no 502639-39-6 (3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester)

3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester is a versatile organic compound. It exhibits excellent solubility in organic solvents, facilitating its use in various synthetic applications. Its unique structure contributes to its stability and reactivity, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound's ability to undergo substitution reactions further expands its utility in organic synthesis.
3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester structure
502639-39-6 structure
Product Name:3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester
CAS No:502639-39-6
MF:C15H19NO3
MW:261.316264390945
MDL:MFCD09953373
CID:1031749
PubChem ID:53249939
Update Time:2025-06-20

3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester Chemical and Physical Properties

Names and Identifiers

    • Benzyl 3-acetylpiperidine-1-carboxylate
    • Benzyl3-acetylpiperidine-1-carboxylate
    • 3-Acetyl-piperidine-1-carboxylic acid benzyl ester
    • CXRLRAPGUPJJTN-UHFFFAOYSA-N
    • 1-N-CBZ-3-ACETYLPIPERIDINE
    • 3852AJ
    • RP29307
    • EN300-6253663
    • DA-35097
    • 502639-39-6
    • MFCD09953373
    • CS-0272111
    • DTXSID60693139
    • J-519827
    • SCHEMBL2180966
    • SB37371
    • AS-63933
    • AKOS016013035
    • CVA63939
    • A12572
    • 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester
    • MDL: MFCD09953373
    • Inchi: 1S/C15H19NO3/c1-12(17)14-8-5-9-16(10-14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
    • InChI Key: CXRLRAPGUPJJTN-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(N1CCCC(C(C)=O)C1)=O

Computed Properties

  • Exact Mass: 261.13649347g/mol
  • Monoisotopic Mass: 261.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 323
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.6
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: NA
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 397.6±42.0 °C at 760 mmHg
  • Flash Point: 132.3±23.2 °C

3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester Security Information

3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester Pricemore >>

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Additional information on 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester

3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester (CAS No. 502639-39-6): An Overview

3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester (CAS No. 502639-39-6) is a versatile compound with significant applications in the fields of medicinal chemistry, pharmaceutical research, and organic synthesis. This compound is characterized by its unique structure, which combines a piperidine ring with an acetyl and benzyl ester group, making it a valuable building block for the development of novel therapeutic agents.

The chemical structure of 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester (C14H17NO3) consists of a piperidine ring, an acetyl group attached to the 3-position of the ring, and a benzyl ester group at the 1-position. This configuration imparts specific chemical and biological properties that make it suitable for various applications in drug discovery and development.

In recent years, there has been growing interest in the use of 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester as a key intermediate in the synthesis of bioactive molecules. One notable application is in the development of central nervous system (CNS) drugs. The piperidine moiety is known for its ability to cross the blood-brain barrier, making it an attractive scaffold for designing compounds that target neurological disorders such as Alzheimer's disease, Parkinson's disease, and depression.

Research has shown that derivatives of 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester can exhibit potent pharmacological activities. For example, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of this compound demonstrated significant anti-inflammatory and analgesic properties. These findings highlight the potential of 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester as a lead compound for the development of new therapeutic agents.

Beyond its applications in medicinal chemistry, 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester is also used in organic synthesis as a versatile building block. Its reactivity and functional group diversity allow it to participate in a wide range of chemical reactions, including nucleophilic substitution, elimination, and coupling reactions. This makes it an essential reagent for synthetic chemists working on complex molecule synthesis.

In the context of pharmaceutical research, the stability and solubility properties of 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester are crucial factors to consider. Studies have shown that this compound exhibits good stability under various conditions, making it suitable for long-term storage and use in laboratory settings. Additionally, its solubility in common organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF) facilitates its use in high-throughput screening assays and other drug discovery processes.

The safety profile of 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester is another important aspect to consider. While detailed toxicological data may vary depending on specific applications and formulations, preliminary studies suggest that this compound is generally well-tolerated at low concentrations. However, as with any chemical compound used in pharmaceutical research, appropriate safety measures should be followed during handling and storage.

In conclusion, 3-Acetyl-Piperidine-1-Carboxylic Acid Benzyl Ester (CAS No. 502639-39-6) is a valuable compound with diverse applications in medicinal chemistry, pharmaceutical research, and organic synthesis. Its unique structural features and favorable chemical properties make it an attractive candidate for the development of novel therapeutic agents targeting various diseases. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in the scientific community.

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