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2,2,2-Trichloroethyl (3,3-dimethyl-1,2,3,5,6,7-hexahydrodicyclopenta[B,E]pyridin-8-YL)carbamate

CAS 2416268-32-9Formula C16H19Cl3N2O2MW 377.7PubChem 146617930

This compound is a complex organic molecule featuring a trichloroethyl carbamate group attached to a dimethyl-hexahydrodicyclopenta[B,E]pyridine core. Its structure suggests potential utility in synthetic organic chemistry, particularly in the synthesis of more complex molecules or as a building block for novel chemical entities. Given its "druglike_bioactive_like" classification, it may be of interest in early-stage drug discovery research.

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InChIKey: MACFOBILDKOFGI-UHFFFAOYSA-NC16H19Cl3N2O2 | MW 377.7

Chemical Identity

Molecular Formula

C16H19Cl3N2O2

Molecular Weight

377.7 g/mol

Exact Mass

376.051211

PubChem CID

146617930

IUPAC Name

2,2,2-trichloroethyl N-(4,4-dimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamate

SMILES String

CC1(C)CCc2c1nc1c(c2NC(=O)OCC(Cl)(Cl)Cl)CCC1

Names & Synonyms

H59627
External Identifiers
SCHEMBL22020361

Catalog Overview

2,2,2-Trichloroethyl (3,3-dimethyl-1,2,3,5,6,7-hexahydrodicyclopenta[B,E]pyridin-8-YL)carbamate, identified by CAS 2416268-32-9, is a synthetic organic compound with the molecular formula C16H19Cl3N2O2 and a molecular weight of 377. 70. It incorporates a 2,2,2-trichloroethyl carbamate moiety linked to a unique polycyclic amine system, specifically a 3,3-dimethyl-1,2,3,5,6,7-hexahydrodicyclopenta[B,E]pyridine scaffold. This intricate structure, classified as "druglike_bioactive_like," indicates its potential relevance in medicinal chemistry 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

2,2,2-Trichloroethyl (3,3-dimethyl-1,2,3,5,6,7-hexahydrodicyclopenta[B,E]pyridin-8-YL)carbamate, identified by CAS 2416268-32-9, is a synthetic organic compound with the molecular formula C16H19Cl3N2O2 and a molecular weight of 377.70. It incorporates a 2,2,2-trichloroethyl carbamate moiety linked to a unique polycyclic amine system, specifically a 3,3-dimethyl-1,2,3,5,6,7-hexahydrodicyclopenta[B,E]pyridine scaffold. This intricate structure, classified as "druglike_bioactive_like," indicates its potential relevance in medicinal chemistry and chemical biology research. It could serve as a versatile intermediate for synthesizing new compounds, exploring structure-activity relationships, or as a probe in biochemical studies.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

150.0 °C

Boiling Point

450.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

220.0 °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 (PPE), 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. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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