Cas no 1000339-79-6 (Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate)

Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate is a fluorinated thiazole derivative with significant potential in medicinal and agrochemical research. Its structure combines a pyrrolidine moiety with a trifluoromethyl-substituted thiazole ring, enhancing its bioactivity and metabolic stability. The ethyl ester group improves solubility and facilitates further synthetic modifications. This compound is particularly valuable as a versatile intermediate in the development of pharmaceuticals, including kinase inhibitors and antimicrobial agents, due to its electron-withdrawing trifluoromethyl group and heterocyclic framework. Its robust stability under various reaction conditions makes it suitable for diverse synthetic applications. Researchers favor this compound for its balanced reactivity and potential to yield high-value derivatives.
Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate structure
1000339-79-6 structure
Product Name:Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate
CAS No:1000339-79-6
MF:C11H13F3N2O2S
MW:294.293331861496
CID:1077359
PubChem ID:26598048
Update Time:2025-10-23

Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate
    • Ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
    • 1000339-79-6
    • DTXSID701166599
    • CS-0439520
    • DB-351425
    • UFCVXWWKIIUOGF-UHFFFAOYSA-N
    • Ethyl 2-(Pyrrolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylate
    • MFCD09750913
    • Ethyl 2-(Pyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
    • AKOS015854083
    • Ethyl2-(Pyrrolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylate
    • Ethyl 2-(1-pyrrolidinyl)-4-(trifluoromethyl)-5-thiazolecarboxylate
    • SCHEMBL2545715
    • MDL： MFCD09750913
    • Inchi： 1S/C11H13F3N2O2S/c1-2-18-9(17)7-8(11(12,13)14)15-10(19-7)16-5-3-4-6-16/h2-6H2,1H3
    • InChI Key： UFCVXWWKIIUOGF-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OCC)=C(C(F)(F)F)N=C1N1CCCC1

Computed Properties

  • Exact Mass: 294.06498332g/mol
  • Monoisotopic Mass: 294.06498332g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 334
  • 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: 3.4
  • Topological Polar Surface Area: 70.7?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 366.8±52.0 °C at 760 mmHg
  • Flash Point: 148.8±26.5 °C

Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate Security Information

  • Signal Word：warning
  • Hazard Statement： Irritant
  • Warning Statement： P264+P280+P305+P351+P338+P337+P313
  • Safety Instruction： H303+H313+H333
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃

Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate Pricemore >>

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Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate Related Literature

Additional information on Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate

Comprehensive Overview of Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate (CAS No. 1000339-79-6)

Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate (CAS No. 1000339-79-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This thiazole derivative is characterized by its unique molecular structure, featuring a pyrrolidine ring and a trifluoromethyl group, which contribute to its diverse reactivity and potential applications. Researchers are increasingly exploring its utility in drug discovery, particularly as a bioactive scaffold for designing novel therapeutics targeting metabolic disorders and infectious diseases.

The compound's CAS number 1000339-79-6 serves as a critical identifier in chemical databases, ensuring precise tracking in regulatory and commercial contexts. Its ethyl carboxylate moiety enhances solubility, making it a versatile intermediate in synthetic chemistry. Recent studies highlight its role in developing small-molecule inhibitors, a hot topic in precision medicine. With the rise of AI-driven drug design, compounds like Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate are being computationally screened for binding affinity against emerging therapeutic targets, such as SARS-CoV-2 proteases or oncology-related enzymes.

From an industrial perspective, this compound aligns with the growing demand for fluorinated building blocks, which are pivotal in creating agrochemicals with improved environmental stability. The trifluoromethyl group is a key structural feature in many herbicides and pesticides, addressing global concerns about crop resistance and sustainability. Manufacturers are optimizing synthetic routes to CAS 1000339-79-6 to meet scalability needs while adhering to green chemistry principles—a trending focus in 2024.

Analytical challenges associated with Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate include its characterization via NMR spectroscopy and HPLC-MS, techniques frequently searched by chemists troubleshooting purity issues. Forums and academic platforms often discuss its stability under acidic conditions or compatibility with cross-coupling reactions, reflecting practical user queries. Additionally, its logP value and metabolic pathways are critical data points for pharmacokinetic modeling, a recurring theme in ADME studies.

In summary, CAS 1000339-79-6 represents a convergence of innovation in medicinal chemistry and material science. Its relevance to high-throughput screening and structure-activity relationship (SAR) analysis ensures continued interest from both academia and industry. As researchers unlock further applications—from catalysis to functional materials—this compound exemplifies how tailored molecular design can address contemporary scientific challenges.

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