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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.

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: 292429GHS 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.