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Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylmalonate

CAS 400075-21-0Formula C14H15ClF3NO4MW 353.72PubChem 2766734

This compound is a complex organic molecule featuring a chlorinated and trifluoromethyl-substituted pyridine ring, linked to a diethyl methylmalonate moiety. It is classified as a research-oriented/research-oriented compound, suggesting its potential utility in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: SDPKYBDKEBNNSR-UHFFFAOYSA-NC14H15ClF3NO4 | MW 353.72

Chemical Identity

Molecular Formula

C14H15ClF3NO4

Molecular Weight

353.72 g/mol

Exact Mass

353.06417

PubChem CID

2766734

IUPAC Name

diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanedioate

SMILES String

CCOC(=O)C(C)(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl

Names & Synonyms

1,3-diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpropanedioate11F-011diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-propanedioate1,3-diethyl2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpropanedioate
External Identifiers
AKOS005077174

Catalog Overview

Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylmalonate is a synthetic organic compound with the molecular formula C14H15ClF3NO4 and a molecular weight of 353. 72 g/mol. Its structure incorporates a pyridine core substituted with both a chlorine atom and a trifluoromethyl group at positions 3 and 5, respectively. This substituted pyridine is further connected to a 2-methylmalonate diethyl ester group.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylmalonate is a synthetic organic compound with the molecular formula C14H15ClF3NO4 and a molecular weight of 353.72 g/mol. Its structure incorporates a pyridine core substituted with both a chlorine atom and a trifluoromethyl group at positions 3 and 5, respectively. This substituted pyridine is further connected to a 2-methylmalonate diethyl ester group. The presence of halogen atoms (chlorine and fluorine in the trifluoromethyl group) and ester functionalities contributes to its physicochemical properties and potential reactivity. Given its "druglike_bioactive_like" classification, it may serve as a valuable building block or lead compound in the synthesis of novel pharmaceutical agents or agrochemicals, particularly in areas exploring pyridine-containing scaffolds.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless to pale yellow liquid

Physical State

Liquid

Melting Point

12.0 °C

Boiling Point

320.0 °C

Density

1.32 g/cm³

Water Solubility

Insoluble

Flash Point

145.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

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