Chemical Identity
Molecular Formula
C19H29BClNO4
Molecular Weight
381.7 g/mol
Exact Mass
381.187816
PubChem CID
57691125
IUPAC Name
tert-butyl N-[1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
SMILES String
CC(NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl
Names & Synonyms
External Identifiers
Catalog Overview
Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate, with CAS 1002310-00-0, is a sophisticated organic intermediate. Its structure incorporates a tert-butyl carbamate (Boc) protecting group on an ethylamine, a chloro substituent on the phenyl ring, and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This combination makes it highly valuable in synthetic chemistry, especially for palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura coupling, where the boronate ester acts as a nucleophilic coupling partner. The Boc group allows for selective deprotection...
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- Research chemical sourcing
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Read more catalog context
Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate, with CAS 1002310-00-0, is a sophisticated organic intermediate. Its structure incorporates a tert-butyl carbamate (Boc) protecting group on an ethylamine, a chloro substituent on the phenyl ring, and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This combination makes it highly valuable in synthetic chemistry, especially for palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura coupling, where the boronate ester acts as a nucleophilic coupling partner. The Boc group allows for selective deprotection of the amine, enabling further functionalization. Researchers utilize this compound as a key intermediate for the synthesis of pharmaceuticals, agrochemicals, and advanced materials for research-use applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
110.0 °C
Boiling Point
350.0 °C
Density
1.2 g/cm³
Water Solubility
Insoluble
Flash Point
180.0 °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 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 handling procedures.
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.