Cas no 1206641-45-3 (2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol)

2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol structure
1206641-45-3 structure
Product Name:2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol
CAS No:1206641-45-3
MF:C16H26BNO3
MW:291.193544864655
MDL:MFCD16294544
CID:2604934
PubChem ID:68571784
Update Time:2025-07-19

2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol Chemical and Physical Properties

Names and Identifiers

    • 4-[2-Hydroxyethyl(methyl)amino]benzeneboronic acid pinacol ester
    • 2-{Methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-amino}-ethanol
    • 2-[methyl({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amino]ethan-1-ol
    • 2-(Methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)amino)ethanol
    • 2-(Methyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]amino)ethanol
    • AMTB243
    • OR310400
    • 1206641-45-3
    • AKOS027460979
    • CS-0153858
    • SB82220
    • AS-2753
    • 2-{Methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-benzyl]-amino}-ethanol
    • SCHEMBL3261289
    • 2-[METHYL({[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHYL})AMINO]ETHANOL
    • MFCD16294544
    • E76833
    • 2-[methyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]amino]ethanol
    • 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol
    • MDL: MFCD16294544
    • Inchi: 1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-18(5)10-11-19/h6-9,19H,10-12H2,1-5H3
    • InChI Key: PEMLGAZFFSJSCW-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(=CC=2)CN(C)CCO)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 291.2005739g/mol
  • Monoisotopic Mass: 291.2005739g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.9

2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol Security Information

2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol Pricemore >>

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Additional information on 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol

Comprehensive Overview of 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol (CAS No. 1206641-45-3)

The compound 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol, identified by CAS No. 1206641-45-3, is a boronic ester derivative with significant applications in organic synthesis and pharmaceutical research. Its unique structure, featuring a dioxaborolane ring and an ethanolamine moiety, makes it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions, a topic frequently searched by chemists and researchers in the field of organoboron chemistry.

In recent years, the demand for boron-containing compounds has surged due to their pivotal role in drug discovery and material science. 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol is particularly noteworthy for its stability and reactivity, which align with the growing interest in sustainable chemistry and green synthesis. Researchers often inquire about its synthetic routes, purification methods, and applications in medicinal chemistry, reflecting its relevance in cutting-edge scientific endeavors.

The compound’s CAS No. 1206641-45-3 is a critical identifier for regulatory and commercial purposes, ensuring precise documentation in chemical databases and patent filings. Its long-tail keyword name, though complex, underscores its specificity, making it a valuable search term for professionals seeking high-purity reagents. Discussions around boronic acid derivatives often highlight this compound’s role in bioconjugation and proteomics, areas of high interest in biopharmaceutical research.

From a technical perspective, 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol exhibits excellent solubility in organic solvents, a property frequently queried in laboratory forums and chemical supplier FAQs. Its compatibility with palladium-catalyzed reactions further enhances its utility, addressing common challenges in heterocycle synthesis and peptide modification. These attributes make it a staple in high-throughput screening and targeted drug design workflows.

Emerging trends in AI-driven drug discovery and computational chemistry have also brought attention to CAS No. 1206641-45-3, as its molecular properties are often modeled for virtual screening and QSAR studies. The compound’s structure-activity relationships (SAR) are of particular interest to researchers optimizing kinase inhibitors and GPCR-targeted therapies, topics dominating recent scientific literature and conference proceedings.

In summary, 2-{Methyl-4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzyl-amino}ethanol (CAS No. 1206641-45-3) is a multifaceted compound bridging organic synthesis, pharmaceutical development, and materials science. Its alignment with contemporary research priorities ensures its continued prominence in both academic and industrial settings.

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