Cas no 1227068-67-8 (1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one)

1-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one is a boronate ester derivative featuring a tetrahydropyridine scaffold. This compound is primarily utilized as an intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura couplings, due to the stability and reactivity of its dioxaborolane moiety. The tetrahydropyridine ring enhances solubility and functional group compatibility, making it suitable for diverse synthetic applications. Its structural features allow for selective modifications, facilitating the preparation of complex molecules in pharmaceutical and materials science research. The product is typically handled under inert conditions to preserve its stability and reactivity.
1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one structure
1227068-67-8 structure
Product Name:1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one
CAS No:1227068-67-8
MF:C13H22BNO3
MW:251.129683971405
MDL:MFCD18427628
CID:1024851
PubChem ID:56737678
Update Time:2025-10-28

1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone
    • 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid, pinacol ester
    • 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
    • 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid pinacol ester
    • 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one
    • Ethanone, 1-[3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinyl]-
    • RENBVEOCTVQABH-UHFFFAOYSA-N
    • 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-
    • 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one
    • SCHEMBL2491645
    • CS-W019712
    • BCP13664
    • C13H22BNO3
    • AKOS015999311
    • EN300-191188
    • 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl) ethanone
    • (1-ACETYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)BORONIC ACID PINACOL ESTER
    • 1-[3,6-Dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinyl]ethanone
    • 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinyl]ethanone
    • 1-Acetyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
    • 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl]ethanone
    • MFCD18427628
    • BBL102699
    • STL556504
    • AB90802
    • SY034534
    • DS-17506
    • DTXSID60718235
    • 1227068-67-8
    • 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid,pinacol ester
    • N-acetyl-3,6-dihydro-2H-pyridine-4-boronic acid pinacol ester
    • 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
    • AM80909
    • A891044
    • Z2753652151
    • MDL： MFCD18427628
    • Inchi： 1S/C13H22BNO3/c1-10(16)15-8-6-11(7-9-15)14-17-12(2,3)13(4,5)18-14/h6H,7-9H2,1-5H3
    • InChI Key： RENBVEOCTVQABH-UHFFFAOYSA-N
    • SMILES： O1B(C2=CCN(C(C)=O)CC2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 251.16900
  • Monoisotopic Mass: 251.1692737g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 374
  • 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: 38.8

Experimental Properties

  • PSA: 38.77000
  • LogP: 1.73430

1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one Pricemore >>

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1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one Production Method

1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one Related Literature

Additional information on 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one

Comprehensive Overview of 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one (CAS No. 1227068-67-8)

The compound 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one (CAS No. 1227068-67-8) is a highly specialized boron-containing intermediate with significant applications in pharmaceutical research and organic synthesis. Its unique structure, featuring a tetrahydropyridine ring and a dioxaborolane moiety, makes it a valuable building block for Suzuki-Miyaura cross-coupling reactions, a topic frequently searched by chemists and researchers in the field of drug discovery and material science.

In recent years, the demand for boronic acid derivatives like this compound has surged due to their pivotal role in bioconjugation and proteolysis-targeting chimera (PROTAC) development. These areas are currently trending in AI-driven drug design and targeted protein degradation research, as evidenced by the growing number of related queries in scientific databases. The tetramethyl-1,3,2-dioxaborolan-2-yl group in this molecule enhances its stability and reactivity, addressing common challenges in boron chemistry.

From a synthetic perspective, CAS No. 1227068-67-8 is often utilized as a key precursor for heterocyclic compound synthesis. Its 1,2,3,6-tetrahydropyridin-1-yl scaffold is particularly attractive for constructing bioactive molecules, including CNS-targeting drugs and kinase inhibitors. This aligns with the pharmaceutical industry's focus on neurodegenerative disease treatments and cancer therapeutics, which dominate current medical research discussions.

The compound's acetyl (ethan-1-one) functionality provides an additional handle for further derivatization, making it a versatile tool in medicinal chemistry workflows. Researchers exploring structure-activity relationships (SAR) frequently search for such multifunctional intermediates to accelerate their lead optimization processes. This practical utility explains why boronate esters continue to be a hot topic in organic synthesis forums and patent literature.

Quality control of 1227068-67-8 is another area of interest, with analytical chemists often inquiring about proper HPLC methods and spectroscopic characterization techniques for similar compounds. The presence of both sp3-hybridized and sp2-hybridized carbons in its structure presents interesting challenges for NMR interpretation, a subject that generates substantial discussion in spectroscopy communities.

In the context of green chemistry advancements, this compound's potential for catalytic transformations and atom-economical reactions is being explored. The dioxaborolane protecting group strategy has gained attention in sustainable synthesis discussions, particularly for minimizing purification steps – a priority for industrial-scale applications. These aspects resonate with the growing emphasis on environmentally friendly synthetic routes in academic and industrial settings.

Storage and handling recommendations for 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one typically focus on maintaining anhydrous conditions and inert atmospheres, reflecting standard practices for boron-containing compounds. Such practical considerations are frequently searched by laboratory technicians and process chemists working with sensitive intermediates.

The patent landscape surrounding this compound reveals its utility in various intellectual property applications, particularly in pharmaceutical compositions and catalytic systems. This connects to broader industry interests in IP protection strategies for specialty chemicals, a subject of ongoing relevance in technology transfer discussions.

Emerging research directions include exploring this compound's potential in biomedical imaging applications, leveraging the boron atom's unique properties for diagnostic probe development. This aligns with increasing searches for theranostic agents and multimodal imaging approaches in medical research communities.

In summary, CAS No. 1227068-67-8 represents a sophisticated synthetic tool at the intersection of multiple cutting-edge research areas. Its structural features and chemical properties continue to inspire innovative applications across drug development, materials science, and catalytic chemistry, making it a compound of enduring interest in the scientific community.

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