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CAS 1041026-55-4

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[3-(bromomethyl)-1-(4-methylbenzenesulfonyl)azetidin-3-yl]methanol

Description:
The chemical substance known as [3-(bromomethyl)-1-(4-methylbenzenesulfonyl)azetidin-3-yl]methanol, with the CAS number 1041026-55-4, is a complex organic compound featuring a four-membered azetidine ring. This compound contains a bromomethyl group, which enhances its reactivity, and a sulfonyl group derived from 4-methylbenzenesulfonic acid, contributing to its potential as a sulfonamide derivative. The presence of the hydroxymethyl group indicates that it can participate in hydrogen bonding, which may influence its solubility and reactivity in various solvents. The overall structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can interact with biological targets. Additionally, the compound's unique structural features may allow for further derivatization, making it a valuable intermediate in synthetic organic chemistry. However, specific physical properties such as melting point, boiling point, and solubility would need to be determined experimentally or sourced from reliable databases for comprehensive characterization.
Formula:C12H16BrNO3S
InChI:InChI=1S/C12H16BrNO3S/c1-10-2-4-11(5-3-10)18(16,17)14-7-12(6-13,8-14)9-15/h2-5,15H,6-9H2,1H3
InChI key:KQQMWQUXNMGDNO-UHFFFAOYSA-N
SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2CC(C2)(CO)CBr
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