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2-amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

CAS 315246-01-6Formula C17H11F3N2O3MW 348.28PubChem 2828687

2-amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile is a complex organic compound featuring a pyranopyrane core, an amino group, a nitrile group, and a trifluoromethylphenyl substituent. With a molecular weight of 348.28, it is classified as a research-oriented/research-oriented molecule, suggesting its potential utility in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: WXINMNJLPQYEEO-UHFFFAOYSA-NC17H11F3N2O3 | MW 348.28

Chemical Identity

Molecular Formula

C17H11F3N2O3

Molecular Weight

348.28 g/mol

Exact Mass

348.072177

PubChem CID

2828687

IUPAC Name

2-amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]pyran-3-carbonitrile

SMILES String

Cc1cc2c(c(=O)o1)C(c1ccccc1C(F)(F)F)C(C#N)=C(N)O2

Names & Synonyms

2-amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile2-Amino-7-methyl-5-oxo-4-(2-(trifluoromethyl)phenyl)-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile2-amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]pyran-3-c arbonitrileAG-205/113182222-amino-7-methyl-5-oxo-4-(2-(trifluoromethyl)phenyl)-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
External Identifiers
SBB001406STK788457AKOS000572208AKOS016295806SS-0787ST007020CS-0320410SR-01000508496SR-01000508496-1

Catalog Overview

This compound, identified by CAS 315246-01-6, is a heterocyclic organic molecule with the chemical formula C17H11F3N2O3. Its structure incorporates a fused pyrano[3,2-c]pyran system, substituted with an amino group, a nitrile group, a methyl group, and a 2-(trifluoromethyl)phenyl moiety. The presence of these functional groups and its 'research-oriented' structural characteristics make it a candidate for various synthetic organic chemistry applications, particularly in the exploration of novel chemical entities for biological screening or lead compound development in pharmaceutical research. Researchers may investigate its...

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Read more catalog context

This compound, identified by CAS 315246-01-6, is a heterocyclic organic molecule with the chemical formula C17H11F3N2O3. Its structure incorporates a fused pyrano[3,2-c]pyran system, substituted with an amino group, a nitrile group, a methyl group, and a 2-(trifluoromethyl)phenyl moiety. The presence of these functional groups and its 'research-oriented' structural characteristics make it a candidate for various synthetic organic chemistry applications, particularly in the exploration of novel chemical entities for biological screening or lead compound development in pharmaceutical research. Researchers may investigate its reactivity, spectroscopic properties, and potential interactions with biological targets.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white to off-white crystalline powder

Physical State

solid

Melting Point

190.0 °C

Density

1.4 g/cm³

Water Solubility

slightly soluble to insoluble

Flash Point

300.0 °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 to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures before use. Dispose of waste in accordance with local regulations.

Related Products / Graph Discovery

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

Similar products (text references)

315246-04-9CAS 315246-04-9
331951-15-6CAS 331951-15-6
205187-53-7CAS 205187-53-7
445385-99-9CAS 445385-99-9
313379-56-5CAS 313379-56-5

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293499GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.