[U-Ring-13C6]-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol

Product Name [U-Ring-13C6]-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol
CAT No. CS-EK-02132
CAS No. 1173922-30-9 unlabeled
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Canonical Smiles B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)O
InchIKey XYJVUQXMTOMREX-UHFFFAOYSA-N
Inchl InChI=1S/C14H21BO3/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-10,16H,1-5H3
IUPAC 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
Controlled No
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[U-Ring-13C6]-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol is a chemical compound used in various industries, including pharmaceuticals and material sciences. This compound is a labeled derivative of Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol, which is a boronic acid derivative. The labeling of the compound with 13C6-U-Ring is used for various analytical purposes, including NMR spectroscopy, mass spectrometry, and chromatography. The main use of [U-Ring-13C6]-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol is in the synthesis of pharmaceutical compounds. The boronic acid group in the molecule is a versatile functional group that can undergo various chemical reactions, including Suzuki-Miyaura coupling, which is a commonly used reaction in the synthesis of pharmaceutical compounds. Additionally, the 13C6-U-Ring labeling of the compound provides a useful tool for tracking the molecule in biological systems and for studying its interactions with other molecules. In terms of chemical information, the compound has a molecular formula of C18H27BClO3 and a molecular weight of 346.68 g/mol. It has a melting point of 110-112 °C and is a white to off-white powder. The compound is stable under normal conditions but should be stored in a cool and dry place to prevent degradation. Overall, [U-Ring-13C6]-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol is a useful compound for various analytical and synthetic applications in the pharmaceutical and material sciences industries.

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