Cas no 27171-88-6 (Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate)

Ethyl 2-Chloro-2-(4-methylphenyl)hydrazonoacetate is a versatile organic compound with significant applications in chemical synthesis. Its unique structure and reactivity make it a valuable intermediate for the preparation of various pharmaceuticals and agrochemicals. The compound offers high purity and stability, ensuring reliable performance in synthetic processes.
Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate structure
27171-88-6 structure
Product Name:Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate
CAS No:27171-88-6
MF:C11H13ClN2O2
MW:240.686121702194
CID:253876
PubChem ID:5891910
Update Time:2025-07-27

Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-chloro-2-(2-(p-tolyl)hydrazono)acetate
    • Acetic acid,2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]-, ethyl ester
    • ETHYL 2-CHLORO-2-[2-(2-METHYLPHENYL)HYDRAZONO]-
    • ethyl 2-chloro-2-[2-(4-Methylphenyl)hydrazono]acetate
    • Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazono]-acetate
    • Ethyl chloro[(4-methylphenyl)hydrazono]acetate
    • ethyl (2E)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
    • MFCD02065467
    • (Z)-ethyl 2-chloro-2-(2-p-tolylhydrazono)acetate
    • ethyl (2E)-chloro[(4-methylphenyl)hydrazono]acetate
    • ethyl (2E)-2-chloro-2-[2-(4-methylphenyl)hydrazin-1-ylidene]acetate
    • 1Y-0967
    • SCHEMBL11767611
    • 27171-88-6
    • AKOS005070092
    • Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate
    • Inchi: 1S/C11H13ClN2O2/c1-3-16-11(15)10(12)14-13-9-6-4-8(2)5-7-9/h4-7,13H,3H2,1-2H3/b14-10+
    • InChI Key: IZJHYJDZIJLTOD-GXDHUFHOSA-N
    • SMILES: Cl/C(/C(=O)OCC)=N/NC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 240.06700
  • Monoisotopic Mass: 240.0665554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 261
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 50.7?2

Experimental Properties

  • Melting Point: 142-143
  • PSA: 50.69000
  • LogP: 2.59530

Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate Customs Data

  • HS CODE:2928000090
  • Customs Data:

    China Customs Code:

    2928000090

    Overview:

    2928000090 Other hydrazine(Hydrazine)And chlorhexidine(hydroxylamine)Organic derivatives of.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate

Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate (CAS No. 27171-88-6): A Comprehensive Overview

Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate, identified by its CAS number 27171-88-6, is a significant compound in the realm of organic chemistry and pharmaceutical research. This compound, featuring a complex structure, has garnered attention due to its potential applications in the synthesis of various pharmacologically active molecules. The presence of multiple functional groups, including a hydrazono group and a chloro substituent, makes it a versatile intermediate in medicinal chemistry.

The molecular structure of Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate consists of an acetoacetate backbone modified with a hydrazono moiety and a chloro group at the alpha position. The 4-methylphenyl group further enhances its reactivity, making it a valuable building block for the development of novel therapeutic agents. Recent studies have highlighted its role in the synthesis of heterocyclic compounds, which are known for their diverse biological activities.

In the context of modern pharmaceutical research, Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate has been explored for its potential in the development of anti-inflammatory and anti-cancer agents. The hydrazono group, in particular, is known to participate in various chemical reactions that can lead to the formation of pharmacologically relevant scaffolds. For instance, it can undergo condensation reactions with aldehydes and ketones to form Schiff bases, which have shown promising activities against various diseases.

One of the most intriguing aspects of Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate is its ability to serve as a precursor for more complex molecules. Researchers have utilized this compound to synthesize derivatives that exhibit enhanced biological activity. For example, modifications at the 4-methylphenyl ring have led to the discovery of new compounds with improved binding affinity to target proteins. These findings underscore the importance of this intermediate in drug discovery pipelines.

The synthesis of Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate typically involves multi-step organic reactions, starting from readily available precursors. The chloroacetoacetate derivative is often used as a key starting material, followed by condensation with hydrazine hydrate and subsequent esterification to yield the desired product. This synthetic route highlights the compound's accessibility and utility in laboratory settings.

Recent advancements in computational chemistry have further enhanced the understanding of Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate's reactivity. Molecular modeling studies have provided insights into how different substituents affect its electronic properties and interactions with biological targets. These insights are crucial for designing more effective synthetic strategies and optimizing drug candidates.

The pharmaceutical industry has shown particular interest in Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate due to its potential as a scaffold for drug development. Its structural features allow for modifications that can fine-tune its biological activity, making it a valuable tool for medicinal chemists. Several ongoing clinical trials are exploring derivatives of this compound for their therapeutic potential in treating various diseases.

In conclusion, Ethyl 2-Chloro-2-2-(4-methylphenyl)hydrazonoacetate (CAS No. 27171-88-6) is a multifaceted compound with significant implications in pharmaceutical research. Its unique structural features and reactivity make it a crucial intermediate in the synthesis of biologically active molecules. As research continues to uncover new applications for this compound, its importance in drug discovery is likely to grow even further.

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