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tert-butylN-{[5-fluoro-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate

CAS 2388488-96-6Formula C19H29BFNO4MW 365.2PubChem 139026539

This compound is a fluorinated phenyl derivative featuring a tert-butyl carbamate and a pinacol boronate group. It is primarily used as a building block in organic synthesis, particularly for Suzuki-Miyaura coupling reactions, in research and development settings.

Loading RDKit molecule structure...
InChIKey: OWYGNJPXACILEK-UHFFFAOYSA-NC19H29BFNO4 | MW 365.2

Chemical Identity

Molecular Formula

C19H29BFNO4

Molecular Weight

365.2 g/mol

Exact Mass

365.217367

PubChem CID

139026539

IUPAC Name

tert-butyl N-[[5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate

SMILES String

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1CNC(=O)OC(C)(C)C

Names & Synonyms

tert-Butyl (5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamatetert-butyl N-{[5-fluoro-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate
External Identifiers
SCHEMBL22664611EN300-686893

Catalog Overview

tert-butyl N-{[5-fluoro-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate is a complex organic molecule with the chemical formula C19H29BFNO4 and a molecular weight of 365. 20. It incorporates a fluorinated and methylated phenyl ring, a tert-butyl carbamate protecting group on a benzylamine moiety, and a pinacol boronate ester. The pinacol boronate group makes this compound a valuable intermediate for cross-coupling reactions, such as the Suzuki-Miyaura reaction, enabling the formation of new carbon-carbon bonds.

Use Context

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  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

tert-butyl N-{[5-fluoro-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate is a complex organic molecule with the chemical formula C19H29BFNO4 and a molecular weight of 365.20. It incorporates a fluorinated and methylated phenyl ring, a tert-butyl carbamate protecting group on a benzylamine moiety, and a pinacol boronate ester. The pinacol boronate group makes this compound a valuable intermediate for cross-coupling reactions, such as the Suzuki-Miyaura reaction, enabling the formation of new carbon-carbon bonds. The tert-butyl carbamate group serves as a common protecting group for the amine, which can be deprotected under acidic conditions to reveal the primary amine. This combination of functional groups makes it a versatile building block in the synthesis of more complex organic molecules, including potential pharmaceutical intermediates and agrochemicals, for research use.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

100.0 °C

Boiling Point

400.0 °C

Density

1.25 g/cm³

Water Solubility

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, 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

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