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tert-Butyl (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)(methyl)carbamate

CAS 2245358-13-6Formula C17H17ClFN3O2MW 349.8PubChem 135347135

tert-Butyl (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)(methyl)carbamate is a complex organic compound with the CAS number 2245358-13-6. Featuring a pyrido[2,3-b]indole core, it is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: LHPGCRZPGPBWLL-UHFFFAOYSA-NC17H17ClFN3O2 | MW 349.8

Chemical Identity

Molecular Formula

C17H17ClFN3O2

Molecular Weight

349.8 g/mol

Exact Mass

349.099333

PubChem CID

135347135

IUPAC Name

tert-butyl N-(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate

SMILES String

CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1ncc(Cl)cc12

Names & Synonyms

TERT-BUTYL N-(3-CHLORO-6-FLUORO-9H-PYRIDO[2,3-B]INDOL-8-YL)-N-METHYL-CARBAMATEtert-butyl N-{3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl}-N-methylcarbamateC17H17ClFN3O2
External Identifiers
SCHEMBL20522023SCHEMBL30152873AT26106CS-0130840

Catalog Overview

tert-Butyl (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)(methyl)carbamate, identified by CAS 2245358-13-6, is a synthetic organic chemical with the molecular formula C17H17ClFN3O2 and a molecular weight of 349. 80. This compound incorporates a pyrido[2,3-b]indole heterocyclic system, substituted with chloro and fluoro groups, and a tert-butyl methylcarbamate moiety. Its intricate structure suggests potential utility as a building block in medicinal chemistry, drug discovery, or as a reference standard in analytical research.

Use Context

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

tert-Butyl (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)(methyl)carbamate, identified by CAS 2245358-13-6, is a synthetic organic chemical with the molecular formula C17H17ClFN3O2 and a molecular weight of 349.80. This compound incorporates a pyrido[2,3-b]indole heterocyclic system, substituted with chloro and fluoro groups, and a tert-butyl methylcarbamate moiety. Its intricate structure suggests potential utility as a building block in medicinal chemistry, drug discovery, or as a reference standard in analytical research. It is classified within the 'druglike_bioactive_like' structural bucket, indicating its relevance in the synthesis of compounds with potential biological activity.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

175.0 °C

Boiling Point

450.0 °C

Density

1.4 g/cm³

Water Solubility

Insoluble

Flash Point

280.0 °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 fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

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