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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.

Similar products (text references)

338397-48-1CAS 338397-48-1
478042-57-8CAS 478042-57-8
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478042-59-0CAS 478042-59-0
1428380-48-6CAS 1428380-48-6

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293339GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.