Chemical Identity
Molecular Formula
C12H13BBrNO2
Molecular Weight
293.95 g/mol
Exact Mass
293.02227
PubChem CID
11493071
IUPAC Name
2-bromo-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
SMILES String
CC1(C)COB(c2cccc(Br)c2C#N)OC1
Names & Synonyms
External Identifiers
Catalog Overview
3-Bromo-2-cyanophenylboronic acid neopentyl glycol ester, identified by CAS 883899-07-8, is a meticulously synthesized chemical intermediate with the molecular formula C12H13BBrNO2 and a molecular weight of 293. 95. This compound incorporates a bromine atom and a cyano group on a phenyl ring, alongside a neopentyl glycol boronic ester functionality. The boronic ester group is a key feature, enabling its participation in palladium-catalyzed Suzuki-Miyaura cross-coupling reactions, a fundamental tool in modern organic chemistry for forming carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Bromo-2-cyanophenylboronic acid neopentyl glycol ester, identified by CAS 883899-07-8, is a meticulously synthesized chemical intermediate with the molecular formula C12H13BBrNO2 and a molecular weight of 293.95. This compound incorporates a bromine atom and a cyano group on a phenyl ring, alongside a neopentyl glycol boronic ester functionality. The boronic ester group is a key feature, enabling its participation in palladium-catalyzed Suzuki-Miyaura cross-coupling reactions, a fundamental tool in modern organic chemistry for forming carbon-carbon bonds. The bromine atom also offers an additional site for further functionalization through various coupling reactions or nucleophilic substitutions. The cyano group can be transformed into other functionalities, such as carboxylic acids or amines, expanding its synthetic utility. This compound is valuable for researchers engaged in the synthesis of pharmaceuticals, agrochemicals, and advanced materials, serving as a crucial building block for creating diverse chemical structures in a research-use-only context.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white crystalline solid
Physical State
solid
Melting Point
98.0 °C
Boiling Point
301.0 °C
Density
1.5 g/cm³
Water Solubility
1.62 × 10⁻³ mol/L
Flash Point
190.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle 3-Bromo-2-cyanophenylboronic acid neopentyl glycol ester in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. 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 comprehensive safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.