Description

Ethyl 2-(1,3-Benzothiazol-2-Ylamino)-2-[(Ethoxycarbonyl)Amino]-3,3,3-Trifluoropropanoate is a high-value, multifunctional organic intermediate characterized by its benzothiazole and trifluoromethyl motifs. This compound matters for its role in facilitating the synthesis of complex molecules, particularly in advanced pharmaceutical and agrochemical research where the introduction of fluorine atoms is critical for modulating bioactivity and stability. It is primarily needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and crop protection industries for constructing novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key building block for the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, due to the benzothiazole scaffold's prevalence in medicinal chemistry.
• Agrochemical Research: Used in developing new-generation herbicides, fungicides, and insecticides where the trifluoromethyl group enhances lipophilicity and metabolic stability.
• Material Science Precursor: Acts as a monomer or functionalizing agent in the synthesis of specialty polymers and advanced organic materials with specific optical or electronic properties.
• Fluorine Chemistry: A valuable reagent for introducing the CF3 group and other functional handles into complex molecular architectures in academic and industrial research settings.
• Ligand Synthesis: Utilized for preparing novel heterocyclic ligands for catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	Ethyl 2-(1,3-Benzothiazol-2-Ylamino)-2-[(Ethoxycarbonyl)Amino]-3,3,3-Trifluoropropanoate
CAS No.	330181-54-9
Molecular Formula	C15H16F3N3O4S
Molecular Weight	391.37 g/mol
Synonyms	Ethyl 2-[(ethoxycarbonyl)amino]-2-[(1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate; 2-(Benzothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionic Acid Ethyl Ester; 3,3,3-Trifluoro-2-[(1,3-benzothiazol-2-yl)amino]-2-[(ethoxycarbonyl)amino]propanoic Acid Ethyl Ester; Ethyl 2-Amino-3,3,3-trifluoro-2-[(1,3-benzothiazol-2-yl)amino]propanoate N-Ethoxycarbonyl Derivative; NSC 796080; CAS 330181-54-9
EINECS	Contact for details

Quality Control

Our Ethyl 2-(1,3-Benzothiazol-2-Ylamino)-2-[(Ethoxycarbonyl)Amino]-3,3,3-Trifluoropropanoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). The compound may be moisture-sensitive; keep the container tightly sealed under an inert atmosphere if necessary for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.