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4H,5H-Pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-

CAS 220986-38-9Formula C16H10ClFN2O3MW 332.71PubChem 3122229

2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is a complex organic compound with a pyrano[4,3-b]pyran core, featuring halogenated phenyl and nitrile substituents. It is primarily intended for research and development applications in synthetic chemistry and drug discovery.

Loading RDKit molecule structure...
InChIKey: CHZLLSSWQZIJFJ-UHFFFAOYSA-NC16H10ClFN2O3 | MW 332.71

Chemical Identity

Molecular Formula

C16H10ClFN2O3

Molecular Weight

332.71 g/mol

Exact Mass

332.036398

PubChem CID

3122229

IUPAC Name

2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

SMILES String

Cc1cc2c(c(=O)o1)C(c1c(F)cccc1Cl)C(C#N)=C(N)O2

Names & Synonyms

4H,5H-Pyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrileAE-848/101300552-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-car bonitrile
Show all synonyms
2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
External Identifiers
RefChem:296739DTXSID401119751CCG-24425STK791112AKOS000638414AKOS016295803SS-0785ST006997CS-0320668SR-01000408467SR-01000408467-1

Catalog Overview

2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, identified by CAS 220986-38-9, is a synthetic organic chemical characterized by its fused pyrano[4,3-b]pyran heterocyclic system. The molecule incorporates an amino group, a carbonitrile functionality, a methyl group, and a 2-chloro-6-fluorophenyl moiety, contributing to its unique chemical properties. With a molecular formula of C16H10ClFN2O3 and a molecular weight of 332. 71, this compound is of interest in advanced organic synthesis, particularly within the realm of research-oriented and research-oriented structural scaffolds.

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2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, identified by CAS 220986-38-9, is a synthetic organic chemical characterized by its fused pyrano[4,3-b]pyran heterocyclic system. The molecule incorporates an amino group, a carbonitrile functionality, a methyl group, and a 2-chloro-6-fluorophenyl moiety, contributing to its unique chemical properties. With a molecular formula of C16H10ClFN2O3 and a molecular weight of 332.71, this compound is of interest in advanced organic synthesis, particularly within the realm of research-oriented and research-oriented structural scaffolds. Its intricate structure makes it a valuable building block or lead compound for exploring novel chemical entities in academic and industrial research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

450.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

258.1 °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 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile 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. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.

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