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tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate

CAS 1417793-99-7Formula C17H23ClF3N3O2MW 393.8PubChem 71303243

tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate (CAS 1417793-99-7) is a complex organic compound with a molecular formula of C17H23ClF3N3O2 and a molecular weight of 393.80. It features a piperidine ring, a trifluoromethyl-substituted chloropyridine moiety, and a tert-butyl carbamate group, making it a valuable building block for research in synthetic organic chemistry.

Loading RDKit molecule structure...
InChIKey: QOESEGUQCIBEPM-UHFFFAOYSA-NC17H23ClF3N3O2 | MW 393.8

Chemical Identity

Molecular Formula

C17H23ClF3N3O2

Molecular Weight

393.8 g/mol

Exact Mass

393.143089

PubChem CID

71303243

IUPAC Name

tert-butyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate

SMILES String

CN(c1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1

Names & Synonyms

4-[(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]piperidine-1-carboxylateG670634-[(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl etert-butyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]piperidine-1-carboxylate
Show all synonyms
tert-Butyl4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate
External Identifiers
MFCD22631680DTXSID701107646AKOS024463054DB-218602CS-0446019

Catalog Overview

This chemical, identified by CAS 1417793-99-7, is tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate. It is characterized by its intricate structure, which includes a piperidine core, a 3-chloro-5-(trifluoromethyl)pyridin-2-yl group, and a methylamino linkage, along with a tert-butyl carbamate protecting group. With a molecular weight of 393. 80, this compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in the synthesis of novel compounds for drug discovery and chemical biology research.

Use Context

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

This chemical, identified by CAS 1417793-99-7, is tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate. It is characterized by its intricate structure, which includes a piperidine core, a 3-chloro-5-(trifluoromethyl)pyridin-2-yl group, and a methylamino linkage, along with a tert-butyl carbamate protecting group. With a molecular weight of 393.80, this compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in the synthesis of novel compounds for drug discovery and chemical biology research. It serves as a versatile intermediate for advanced synthetic applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

80.0 °C

Boiling Point

420.0 °C

Density

1.28 g/cm³

Water Solubility

Slightly soluble

Flash Point

257.4 °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 tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Prevent skin and eye contact. In case of exposure, rinse thoroughly with water and seek medical attention if irritation persists. Store in a cool, dry place, tightly sealed, away from incompatible materials. Dispose of according to local regulations for chemical waste.

Related Products / Graph Discovery

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

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29333990GHS Pictograms: GHS07, GHS09Shipment 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.