Description

1H-1,2,4-Triazole-3-Carboxylic Acid, 2,5-Dihydro-1-Methyl-5-Thioxo-, Methyl Ester is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound serves as a key intermediate for the development of novel active pharmaceutical ingredients (APIs) and agrochemicals. It is primarily required by R&D chemists and process development scientists in the pharmaceutical and crop protection industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of triazole-based drug candidates, including potential antiviral, antifungal, and anticancer agents.
• Agrochemical Synthesis: Used in the research and development of novel fungicides, herbicides, and plant growth regulators that leverage the triazole moiety for biological activity.
• Chemical Research: Serves as a versatile scaffold in medicinal chemistry for structure-activity relationship (SAR) studies and library synthesis.
• Material Science: Potential building block for the development of specialty polymers, ligands for catalysis, or organic electronic materials.
• Process Chemistry: Employed in route scouting and scale-up optimization for the commercial production of high-value fine chemicals.

Basic Information

Product Name	1H-1,2,4-Triazole-3-Carboxylic Acid, 2,5-Dihydro-1-Methyl-5-Thioxo-, Methyl Ester
CAS No.	77780-49-5
Molecular Formula	C6H7N3O2S
Molecular Weight	185.21 g/mol
Synonyms	Methyl 1-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate; 1-Methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid methyl ester; 3-Methoxycarbonyl-1-methyl-1,2,4-triazole-5(4H)-thione; 1-Methyl-1,2,4-triazole-3-carboxylic acid, 5-thioxo-, methyl ester; 4,5-Dihydro-1-methyl-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid methyl ester
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols. Every batch undergoes comprehensive analytical characterization, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all critical quality attributes. We support development under cGMP guidelines where required.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The compound may be moisture-sensitive; keep the container tightly sealed in a dry environment.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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