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2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS 1449475-29-9Formula C13H15BClNO2MW 263.53PubChem 74789414

2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a functionalized intermediate featuring a chlorobenzonitrile core and a pinacol boronate ester group. It is primarily used in organic synthesis as a versatile building block, particularly in Suzuki-Miyaura cross-coupling reactions. For research use only.

Loading RDKit molecule structure...
InChIKey: MMAGXXNVDWQTPQ-UHFFFAOYSA-NC13H15BClNO2 | MW 263.53

Chemical Identity

Molecular Formula

C13H15BClNO2

Molecular Weight

263.53 g/mol

Exact Mass

263.088437

PubChem CID

74789414

SMILES String

CC1(C)OB(c2cccc(Cl)c2C#N)OC1(C)C

Names & Synonyms

108-089-92-Chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile2-?Chloro-?6-?(tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?benzonitrileD71829F694179
Show all synonyms
2-Chloro-1-cyanobenzene-6-boronic Acid Pinacol Ester
External Identifiers
RefChem:469524MFCD18729917SCHEMBL15156866BS-30942CS-0175495

Catalog Overview

2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorinated benzonitrile core and a pinacol boronate ester substituent. With a molecular formula of C13H15BClNO2 and a molecular weight of 263. 53, this compound serves as a key functionalized intermediate in various synthetic routes. The boronate ester group makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.

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Read more catalog context

2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorinated benzonitrile core and a pinacol boronate ester substituent. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53, this compound serves as a key functionalized intermediate in various synthetic routes. The boronate ester group makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of the nitrile and chloro groups offers additional handles for further chemical transformations, making it a valuable reagent for constructing complex organic molecules in research and development settings. This product is for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

320.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

170.0 °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. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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