3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Name: 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Brand: ChemScene
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CAS No. 819057-45-9
Cat. No. CS-W005873
Purity≥95%
MDL No.MFCD09951877

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FedEx Limited Quantities Ground	$0.00
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3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline|CS-W005873

Structure of 819057-45-9

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Description

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline features a boronate ester group that enables efficient Suzuki-Miyaura coupling under mild conditions. The para-fluorinated aryl scaffold imparts enhanced metabolic stability and electron-withdrawing character, facilitating precise functionalization in complex molecule synthesis. This bench-stable reagent integrates seamlessly into late-stage derivatization workflows.

Application

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline serves as a versatile boron-containing building block for Suzuki-Miyaura cross-coupling reactions. The ortho-fluorinated aryl group enables directed functionalization, while the stable boronate ester facilitates efficient coupling with aryl halides and pseudohalides. Its bench-stable nature and excellent functional group tolerance make it ideal for constructing complex biaryl scaffolds in medicinal chemistry and materials science applications.

General Information

CAS No. 819057-45-9
Cat. No. CS-W005873
Purity ≥95%
MDL No. MFCD09951877
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₇BFNO₂
Molecular Weight 237.08
Synonym(s) Benzenamine,3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
SMILES NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1

Computational Chemistry Data

TPSA 44.48
LogP 1.7071
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Boronic Acid And Its Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

CAS No. 819057-45-9

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