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Benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate

CAS 1391733-30-4Formula C15H17F2NO2MW 281.3PubChem 71089458

Benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate is a fluorinated bicyclic compound with a carbamate functional group, primarily used as a research chemical. Its "druglike_bioactive_like" structural characteristics suggest potential utility in medicinal chemistry and synthetic organic research as a building block or intermediate.

Loading RDKit molecule structure...
InChIKey: QGSWWKRTZLCXSW-UHFFFAOYSA-NC15H17F2NO2 | MW 281.3

Chemical Identity

Molecular Formula

C15H17F2NO2

Molecular Weight

281.3 g/mol

Exact Mass

281.122735

PubChem CID

71089458

SMILES String

CC12CN(C(=O)OCc3ccccc3)CCC1C2(F)F

Names & Synonyms

benzyl 7,7-difluoro-6-methyl-4-azabicyclo[4.1.0]heptane-4-carboxylateQGSWWKRTZLCXSW-UHFFFAOYSA-NW117374-Cbz-7,7-difluoro-6-methyl-4-azabicyclo[4.1.0]heptaneBenzyl7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate
External Identifiers
MFCD23378517SCHEMBL14157143AKOS027256123AS-72570CS-0038606

Catalog Overview

Benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4. 1. 0]heptane-3-carboxylate, identified by CAS 1391733-30-4, is an organic compound featuring a unique 3-azabicyclo[4. 1.

Use Context

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

Benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate, identified by CAS 1391733-30-4, is an organic compound featuring a unique 3-azabicyclo[4.1.0]heptane core, substituted with a methyl group and two fluorine atoms at the 7-position. The nitrogen atom is protected as a benzyl carbamate. With a molecular formula of C15H17F2NO2 and a molecular weight of 281.30, this compound falls into the "druglike_bioactive_like" structural bucket. It is of interest in synthetic organic chemistry for constructing complex molecular architectures, particularly in the development of novel compounds with potential biological activity. Its difluorinated cyclopropane moiety and protected amine offer versatile synthetic handles for further derivatization.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

320.0 °C

Density

1.25 g/cm³

Water Solubility

Insoluble

Flash Point

165.0 °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 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. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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

Similar products (text references)

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2469839-22-1CAS 2469839-22-1

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399GHS Pictograms: GHS07Shipment 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.