Cas no 73733-70-7 (ethyl 4-isothiocyanatopiperidine-1-carboxylate)

Ethyl 4-isothiocyanatopiperidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its reactive isothiocyanate functional group. This compound enables efficient derivatization through nucleophilic addition reactions, making it useful in the preparation of thiourea derivatives and other heterocyclic scaffolds. Its piperidine backbone contributes to structural diversity in medicinal chemistry applications, while the ethyl carboxylate group enhances solubility and handling. The isothiocyanate moiety offers selective reactivity with amines and thiols, facilitating the development of pharmacophores or bioconjugates. Suitable for controlled functionalization, this compound is employed in drug discovery and materials science, where precise molecular modifications are critical. Storage under inert conditions is recommended to maintain stability.
ethyl 4-isothiocyanatopiperidine-1-carboxylate structure
73733-70-7 structure
Product Name:ethyl 4-isothiocyanatopiperidine-1-carboxylate
CAS No:73733-70-7
MF:C9H14N2O2S
MW:214.284660816193
MDL:MFCD09946457
CID:571046
PubChem ID:3018454
Update Time:2025-06-29

ethyl 4-isothiocyanatopiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Piperidinecarboxylicacid, 4-isothiocyanato-, ethyl ester
    • ethyl 4-isothiocyanatopiperidine-1-carboxylate
    • 4-isothiocyanato-1-piperidinecarboxylate
    • 4-isothiocyanato-1-piperidinecarboxylic acid ethyl ester
    • 4-isothiocyanato-piperidin-1-carboxylic acid ethyl ester
    • EINECS 277-579-3
    • ethyl 4-isothiocyanato-1-piperidinecarboxylate
    • ethyl 4-isothiocyanato-1-piperidine-carboxylate
    • NS00060159
    • EN300-31390
    • 73733-70-7
    • SCHEMBL3871604
    • DTXSID60994618
    • AKOS000189344
    • ethyl4-isothiocyanatopiperidine-1-carboxylate
    • LKKAWMNEPUOSKW-UHFFFAOYSA-N
    • MDL: MFCD09946457
    • Inchi: 1S/C9H14N2O2S/c1-2-13-9(12)11-5-3-8(4-6-11)10-7-14/h8H,2-6H2,1H3
    • InChI Key: LKKAWMNEPUOSKW-UHFFFAOYSA-N
    • SMILES: S=C=NC1CCN(C(=O)OCC)CC1

Computed Properties

  • Exact Mass: 214.07800
  • Monoisotopic Mass: 214.07759887g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 243
  • 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: 2.4
  • Topological Polar Surface Area: 74?2

Experimental Properties

  • Density: 1.21
  • Boiling Point: 332.7°C at 760 mmHg
  • Flash Point: 155°C
  • Refractive Index: 1.571
  • PSA: 73.99000
  • LogP: 1.64800

ethyl 4-isothiocyanatopiperidine-1-carboxylate 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%

ethyl 4-isothiocyanatopiperidine-1-carboxylate Pricemore >>

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Additional information on ethyl 4-isothiocyanatopiperidine-1-carboxylate

Ethyl 4-Isothiocyanatopiperidine-1-Carboxylate: A Comprehensive Overview

Ethyl 4-isothiocyanatopiperidine-1-carboxylate, identified by the CAS number 73733-70-7, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines a piperidine ring with an isothiocyanate group and an ethyl carboxylate substituent. The isothiocyanate group, known for its reactivity, plays a pivotal role in the compound's chemical properties and potential applications.

The synthesis of ethyl 4-isothiocyanatopiperidine-1-carboxylate involves a series of carefully controlled reactions. Recent studies have focused on optimizing the synthesis process to enhance yield and purity. For instance, researchers have explored the use of microwave-assisted synthesis to accelerate the reaction while maintaining the integrity of the compound's structure. This approach not only improves efficiency but also reduces the environmental footprint of the production process.

Ethyl 4-isothiocyanatopiperidine-1-carboxylate exhibits a range of physical and chemical properties that make it suitable for various applications. The compound is sparingly soluble in water but dissolves readily in organic solvents such as dichloromethane and ethyl acetate. Its melting point and boiling point have been determined through advanced thermal analysis techniques, providing critical data for its safe handling and storage.

One of the most promising applications of ethyl 4-isothiocyanatopiperidine-1-carboxylate lies in its potential as a precursor in drug discovery. The isothiocyanate group is known to exhibit anti-inflammatory and anticancer properties, making this compound a valuable tool in medicinal chemistry. Recent research has highlighted its ability to inhibit certain enzymes associated with chronic inflammatory diseases, offering new avenues for therapeutic development.

In addition to its pharmacological applications, ethyl 4-isothiocyanatopiperidine-1-carboxylate has shown potential in materials science. The compound's reactivity allows it to participate in polymerization reactions, leading to the development of novel materials with tailored properties. For example, researchers have explored its use in synthesizing biodegradable polymers for biomedical applications, such as drug delivery systems and tissue engineering scaffolds.

The environmental impact of ethyl 4-isothiocyanatopiperidine-1-carboxylate has also been a subject of recent studies. Researchers have investigated its biodegradation pathways under various conditions, aiming to assess its safety for industrial and medical applications. These studies have provided valuable insights into the compound's eco-friendliness and its potential for sustainable use.

In conclusion, ethyl 4-isothiocyanatopiperidine-1-carboxylate (CAS No: 73733-70-7) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application techniques, positions it as a key player in modern chemical research. As ongoing studies continue to uncover new properties and uses, this compound is poised to make significant contributions to both scientific innovation and practical applications.

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