Description

4H-1-Benzopyran-4-One,2,3-Dihydro-2-Methyl-3-(1H-1,2,4-Triazol-1-Yl)-,(2R,3R)-Rel-(9Ci) is a high-purity, stereochemically defined chiral intermediate of significant importance in advanced organic synthesis. Its value lies in its specific (2R,3R) relative stereochemistry and the presence of the 1,2,4-triazole moiety, which are key pharmacophores in active pharmaceutical ingredient (API) development. This compound is essential for research chemists and process development scientists in the pharmaceutical and agrochemical industries working on novel bioactive molecules.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of chiral drug candidates, particularly those targeting fungal infections or requiring specific stereochemical configurations.
• Agrochemical Research: Used in the development of new fungicides and plant growth regulators, leveraging the bioactivity of the triazole functional group.
• Asymmetric Synthesis: Serves as a chiral template or precursor in catalytic asymmetric reactions to construct complex molecular architectures.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying enzyme mechanisms and biological pathways.
• Process Chemistry & Scale-Up: Employed in route scouting and optimization for the commercial-scale manufacturing of target APIs.
• Academic & Institutional Research: A valuable reagent for methodological studies in heterocyclic and medicinal chemistry within university and R&D laboratory settings.

Basic Information

Product Name	4H-1-Benzopyran-4-One,2,3-Dihydro-2-Methyl-3-(1H-1,2,4-Triazol-1-Yl)-,(2R,3R)-Rel-(9Ci)
CAS No.	810692-81-0
Molecular Formula	C12H11N3O2
Molecular Weight	229.24 g/mol
Synonyms	(2R,3R)-rel-2,3-Dihydro-2-methyl-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one; (2R,3R)-2-Methyl-3-(1,2,4-triazol-1-yl)chroman-4-one; (rel)-(2R,3R)-2-Methyl-3-(1H-1,2,4-triazol-1-yl)-2,3-dihydro-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 2,3-dihydro-2-methyl-3-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-rel-; Chiral Dihydrochromenone Triazole Derivative; Triazole-Substituted Chromanone Intermediate
EINECS	Contact for details

Quality Control

Our 4H-1-Benzopyran-4-One,2,3-Dihydro-2-Methyl-3-(1H-1,2,4-Triazol-1-Yl)-,(2R,3R)-Rel-(9Ci) is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity (HPLC), chemical purity (HPLC), and identity confirmation (NMR, IR, MS) to ensure it meets the stringent requirements for pharmaceutical R&D. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all relevant specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The compound may be light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% (2R,3R)-rel isomer
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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