Cas no 71879-55-5 (Ethyl 3-(piperidin-4-yl)propanoate)

Ethyl 3-(piperidin-4-yl)propanoate is a versatile intermediate in organic synthesis, particularly valued for its piperidine core and ester functionality. The compound serves as a key building block in pharmaceutical and agrochemical research, enabling the introduction of a piperidinyl moiety into target molecules. Its ester group offers flexibility for further derivatization, including hydrolysis or reduction, to yield carboxylic acid or alcohol derivatives, respectively. The structural features of this compound facilitate the development of bioactive molecules, such as CNS-targeting drugs or enzyme inhibitors. Its stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for multistep synthesis.
Ethyl 3-(piperidin-4-yl)propanoate structure
71879-55-5 structure
Product Name:Ethyl 3-(piperidin-4-yl)propanoate
CAS No:71879-55-5
MF:C10H19NO2
MW:185.26336312294
MDL:MFCD12028379
CID:1027643
PubChem ID:10012639
Update Time:2025-10-22

Ethyl 3-(piperidin-4-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(piperidin-4-yl)propanoate
    • 4-Piperidinepropanoic acid ethyl ester
    • ETHYL 3-PIPERIDIN-4-YLPROPANOATE
    • 3-(piperidin-4-yl)propionic acid ethyl ester
    • 3-[4]piperidyl-propionic acid ethyl ester
    • 4-(2-ethoxycarbonylethyl)piperidine
    • Ethyl 3-(4-piperidyl)propanoate
    • ethyl 3-(piperid-4-yl)propionate
    • ethyl 3-(piperidin-4-yl)propionate
    • ethyl 4-piperidinepropanoate
    • 3-Piperidin-4-yl-propionic acid ethyl ester
    • AKOS005172117
    • MB11519
    • SCHEMBL3597232
    • Ethyl3-(piperidin-4-yl)propanoate
    • DTXSID40434108
    • J-520816
    • FT-0747537
    • A866347
    • 71879-55-5
    • F8881-0705
    • EN300-149182
    • BS-29357
    • MFCD12028379
    • BB 0254196
    • CS-0207699
    • XHMFMSVBWJZLBF-UHFFFAOYSA-N
    • STK506041
    • DB-074488
    • SY102660
    • 4-Piperidinepropanoic acid, ethyl ester, hydrochloride
    • ALBB-009712
    • MDL: MFCD12028379
    • Inchi: 1S/C10H19NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3
    • InChI Key: XHMFMSVBWJZLBF-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCC1CCNCC1)=O

Computed Properties

  • Exact Mass: 185.14200
  • Monoisotopic Mass: 185.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 153
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Density: 0.959
  • Boiling Point: 252 oC
  • Flash Point: 106 oC
  • PSA: 38.33000
  • LogP: 1.65810

Ethyl 3-(piperidin-4-yl)propanoate Security Information

  • HazardClass:IRRITANT

Ethyl 3-(piperidin-4-yl)propanoate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Ethyl 3-(piperidin-4-yl)propanoate

Comprehensive Overview of Ethyl 3-(piperidin-4-yl)propanoate (CAS No. 71879-55-5): Properties, Applications, and Industry Insights

Ethyl 3-(piperidin-4-yl)propanoate (CAS No. 71879-55-5) is a versatile organic compound with a growing presence in pharmaceutical and chemical research. This ester derivative, featuring a piperidine ring, has garnered attention for its potential as a building block in drug discovery and specialty chemical synthesis. The compound's unique structure combines the lipophilic properties of the ethyl ester with the nitrogen-containing heterocycle, making it valuable for modulating bioavailability and target interactions.

In recent years, the demand for piperidine derivatives like Ethyl 3-(piperidin-4-yl)propanoate has surged due to their prevalence in FDA-approved drugs. Pharmaceutical researchers frequently search for "piperidine-based scaffolds" or "ester modifications for CNS drugs," reflecting the compound's relevance in neurological and metabolic drug development. The CAS 71879-55-5 substance offers advantages in solubility tuning and pharmacokinetic optimization, addressing common challenges in modern drug design.

The synthesis of Ethyl 3-(piperidin-4-yl)propanoate typically involves esterification reactions of piperidine-containing precursors, with process optimization being a frequent topic in organic chemistry forums. Analytical characterization via NMR spectroscopy and mass spectrometry confirms the compound's purity, crucial for research applications. Industry professionals often inquire about "scalable synthesis of N-heterocyclic esters" or "stability studies of piperidine derivatives," highlighting practical considerations for its use.

Beyond pharmaceuticals, CAS 71879-55-5 finds applications in material science, particularly in designing functionalized polymers with tailored properties. The compound's ability to introduce both polar and non-polar characteristics makes it valuable for creating smart materials with responsive behaviors. Recent patent literature reveals innovative uses in controlled-release systems and catalysis, expanding its commercial potential.

Quality control of Ethyl 3-(piperidin-4-yl)propanoate follows stringent protocols, with HPLC purity analysis being standard practice. Suppliers emphasize "high-purity research chemicals" and "GMP-compliant intermediates" in their marketing, responding to laboratory purchasers' priorities. Storage recommendations typically suggest anhydrous conditions and temperature control to maintain stability, addressing common preservation queries.

Emerging research explores the compound's potential in green chemistry applications, aligning with sustainability trends. Scientists are investigating biocatalytic routes for its production and biodegradable derivatives, topics frequently searched in academic databases. The environmental profile of piperidine-containing compounds remains an active area of study, with CAS 71879-55-5 serving as a model structure.

Regulatory aspects of Ethyl 3-(piperidin-4-yl)propanoate vary by jurisdiction, with proper safety data sheets being essential for compliance. While not classified as hazardous under standard protocols, proper laboratory handling procedures are emphasized in technical documentation. The compound's structure-activity relationships continue to be explored through computational chemistry and molecular modeling approaches.

Market analysis indicates steady growth for fine chemicals like CAS 71879-55-5, driven by pharmaceutical outsourcing and research funding. Industry reports highlight "custom synthesis services" and "bulk pharmaceutical intermediates" as related business opportunities. The compound's price fluctuations often correlate with piperidine availability and specialty chemical demand cycles.

Future directions for Ethyl 3-(piperidin-4-yl)propanoate research may include structure optimization for specific therapeutic targets and development of novel synthetic methodologies. Its role in combinatorial chemistry libraries and fragment-based drug design positions it as a valuable tool for medicinal chemists addressing current healthcare challenges.

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