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4-(1-Cyano-1-methylethyl)-3-fluorophenylboronic acid

CAS 2377611-26-0Formula C10H11BFNO2MW 207.01PubChem 75485830

4-(1-Cyano-1-methylethyl)-3-fluorophenylboronic acid is a functionalized boronic acid derivative featuring a fluorinated phenyl ring and a cyanopropyl group. It is primarily used as a versatile building block in organic synthesis for research applications.

Loading RDKit molecule structure...
InChIKey: DKVAOBRSYFKRFR-UHFFFAOYSA-NC10H11BFNO2 | MW 207.01

Chemical Identity

Molecular Formula

C10H11BFNO2

Molecular Weight

207.01 g/mol

Exact Mass

207.086687

PubChem CID

75485830

IUPAC Name

[4-(2-cyanopropan-2-yl)-3-fluorophenyl]boronic acid

SMILES String

CC(C)(C#N)c1ccc(B(O)O)cc1F

Names & Synonyms

[4-(1-cyano-1-methylethyl)-3-fluorophenyl]boronic acid[4-(1-cyano-1-methyl-ethyl)-3-fluoro-phenyl]boronic acid
External Identifiers
SCHEMBL31316770MFCD27935614BS-35381CS-0178359EN300-7394296

Catalog Overview

4-(1-Cyano-1-methylethyl)-3-fluorophenylboronic acid is an organic compound characterized by a boronic acid group attached to a fluorinated phenyl ring, which also bears a 1-cyano-1-methylethyl (cyanopropyl) substituent. With the molecular formula C10H11BFNO2 and a molecular weight of 207.01, this compound serves as a versatile building block in organic synthesis. Its boronic acid functionality makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, while the fluorine atom and nitrile group can introduce specific electronic and steric properties, making it valuable for the synthesis of complex molecules, including...

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Read more catalog context

4-(1-Cyano-1-methylethyl)-3-fluorophenylboronic acid is an organic compound characterized by a boronic acid group attached to a fluorinated phenyl ring, which also bears a 1-cyano-1-methylethyl (cyanopropyl) substituent. With the molecular formula C10H11BFNO2 and a molecular weight of 207.01, this compound serves as a versatile building block in organic synthesis. Its boronic acid functionality makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, while the fluorine atom and nitrile group can introduce specific electronic and steric properties, making it valuable for the synthesis of complex molecules, including potential pharmaceutical intermediates and agrochemicals, for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

155.0 °C

Boiling Point

320.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

190.0 °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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before handling.

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