121114-64-5

Basic information

• Product Name: 2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(Ethylthiomethyl)phenylboronic acid, pinacol ester
• CAS NO: 121114-64-5
• Molecular Formula: C₁₅H₂₃BO₂S
• Molecular Weight: 278.21792
• Mol File: 121114-64-5.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerated.
• CAS DataBase Reference: 2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(121114-64-5)
• EPA Substance Registry System: 2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(121114-64-5)

Safety Data

• Hazardous Substances Data: 121114-64-5(Hazardous Substances Data)

Usage

General Description

2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a chemical compound used in various industrial and research applications. It is a boronic ester, with the chemical formula C15H25BO2S. 2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is known for its ability to react with a variety of nucleophiles and is commonly used in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its unique structure and reactivity make it a valuable tool in organic synthesis and chemical research. Additionally, it has potential applications in the field of medicinal chemistry, particularly in the development of new drugs and pharmaceutical compounds.

Upstream product

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Relevant articles and documents

X-ray structures, photophysical characterization, and computational analysis of geometrically constrained copper(I) -Phenanthroline complexes

A series of three geometrically constrained C2-symmetric Cu(I) mono-phenanthroline complexes were characterized by X-ray structural analysis, and their photophysical properties were investigated by absorption and emission spectroscopy. Visible light excitation yielded metal-to-ligand charge-transfer (MLCT) excited states with luminescence lifetimes up to 155 ns. Ultrafast ransient absorption spectroscopy provided further insights into the excited-state dynamics and suggests for all three complexes the formation of a phenanthroline radical anion. In agreement with electrochemical measurements, the data further indicate that coordinative rearrangements are involved in nonradiative deactivation of the excited states. According to time-dependent density functional theory calculations (B3LYP/6-31G**), the major MLCT transitions are polarized along the C2 axis of the complex and originate predominantly from the copper dxz orbital. The computational analysis identifies an excited-state manifold with a number of close-lying, potentially emissive triplet states and is in agreement with the multiexponential decay kinetics of the MLCT luminescence. The relationship between structural and photophysical data of the studied Cu(I) mono-phenanthroline complexes agrees well with current models describing the photophysics of the related Cu(I) bis-diimine complexes.