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

CAS 2113610-44-7Formula C10H17BClNO2MW 229.51PubChem 155822014

4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile is a functionalized intermediate featuring both a pinacol boronate and a chloronitrile group. It is primarily used in research and development as a versatile building block for complex organic synthesis.

Loading RDKit molecule structure...
InChIKey: IILSKAVBMPAGON-UHFFFAOYSA-NC10H17BClNO2 | MW 229.51

Chemical Identity

Molecular Formula

C10H17BClNO2

Molecular Weight

229.51 g/mol

Exact Mass

229.104087

PubChem CID

155822014

SMILES String

CC1(C)OB(C(Cl)CCC#N)OC1(C)C

Names & Synonyms

Z4636912583
External Identifiers
EN300-27145746

Catalog Overview

4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile, identified by CAS 2113610-44-7, is an organoboron compound containing a nitrile and a chlorine atom. Its molecular formula is C10H17BClNO2 and its molecular weight is approximately 229. 51 g/mol. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group makes it suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, while the chloro and nitrile functionalities offer additional sites for further chemical transformations.

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Read more catalog context

4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile, identified by CAS 2113610-44-7, is an organoboron compound containing a nitrile and a chlorine atom. Its molecular formula is C10H17BClNO2 and its molecular weight is approximately 229.51 g/mol. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group makes it suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, while the chloro and nitrile functionalities offer additional sites for further chemical transformations. This compound serves as a valuable intermediate in the synthesis of more complex molecules within academic and industrial research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

275.0 °C

Density

1.15 g/cm³

Water Solubility

Insoluble

Flash Point

105.0 °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 4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with 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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