Cas no 2665-13-6 (1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-)

1,3,2-Dioxaborinane, 2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl- is a cyclic boronate ester characterized by its stable dioxaborinane structure and bifunctional linker. This compound is notable for its ability to form reversible covalent bonds with diols, making it useful in dynamic covalent chemistry and molecular recognition applications. The methyl-substituted propanediyl spacer enhances steric stability while maintaining reactivity. Its hydrolytic stability under controlled conditions allows for applications in polymer chemistry, sensing, and controlled-release systems. The compound’s structural rigidity and boronate ester functionality also make it a candidate for crosslinking in materials science. Proper handling under inert conditions is recommended to preserve its reactivity.
1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl- structure
2665-13-6 structure
Product Name:1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-
CAS No:2665-13-6
MF:C12H24B2O6
MW:285.937364578247
CID:258880
PubChem ID:62455
Update Time:2025-10-28

1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-
    • 4-methyl-2-[4-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]butan-2-yloxy]-1,3,2-dioxaborinane
    • 1,3,2-Dioxaborinane, 2,2'-((1-methyl-1,3-propanediyl)bis(oxy))bis(4-methyl-
    • 1,3-Butanediol, cyclic ester with boric acid, 1-methyltrimethylene ester
    • 2,2'-((1-Methylpropane-1,3-diyl)bis(oxy))bis(4-methyl-1,3,2-dioxaborinane)
    • 2,2'-(1-methyltrimethylenedioxy)-bis(4-methyl-1,3,2-dioxaborinane)
    • Biobor
    • Biobor jf
    • CCRIS 808
    • EINECS 220-198-4
    • 1, cyclic ester with boric acid (H3BO3), 1-methyltrimethylene ester
    • BORESTER 36
    • 1,3-BUTYLENE GLYCOL BIS(4-METHYL-1,3,2-DIOXABORINANE)
    • NS00002239
    • 2665-13-6
    • NSC526740
    • UNII-OO5501V2AU
    • 2,2'-((1-METHYLPROPANE-1,3-DIYL)BIS(OXY))BIS(4-METHYL-1,3,2- DIOXABORINANE)
    • 2,2'-(1-Methyltrimethylenedioxy)bis(4-methyl-1,3,2-dioxaborinane)
    • 1,3-Butanediol, cyclic ester with boric acid (H3BO3), 1-methyltrimethylene ester
    • 2,3,2-dioxaborinane)
    • 2,2'-[(1-Methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-1,3,2-dioxaborinane]
    • SCHEMBL1158159
    • DTXSID0032528
    • 1, ester with boric acid (H3BO3) (1:2), cyclic B,B:B',B'-bis(1-methyltrimethylene) ester
    • 1,2-Dioxaborinane, 2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-
    • 1,3-BUTANEDIOL, CYCLIC ESTER WITH BORIC ACID (H3BO3), 1- METHYLTRIMETHYLENE ESTER
    • 1,3-BUTANEDIOL, CYCLIC DIESTER WITH 1-METHYLTRIMETHYLENE BORATE
    • Q27285755
    • OO5501V2AU
    • TRIBUTYLENEGLYCOLBIBORATE
    • NSC 526740
    • NSC-526740
    • tri(butylene glycol) biborate
    • starbld0016701
    • Inchi: 1S/C12H24B2O6/c1-10-4-7-15-13(18-10)16-8-5-11(2)19-14-17-9-6-12(3)20-14/h10-12H,4-9H2,1-3H3
    • InChI Key: RCIYLEACODIIKU-UHFFFAOYSA-N
    • SMILES: O1B(OCCC1C)OC(C)CCOB1OCCC(C)O1

Computed Properties

  • Exact Mass: 284.18312
  • Monoisotopic Mass: 286.176
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.4A^2

Experimental Properties

  • Density: 1.05
  • Boiling Point: 279.5°Cat760mmHg
  • Flash Point: 122.8°C
  • Refractive Index: 1.433
  • PSA: 55.38

1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Ambeed
A395432-100mg
2,2'-[(1-Methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-1,3,2-dioxaborinane]
2665-13-6 98+%
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Additional information on 1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl-

Recent Advances in the Study of 1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl- (CAS: 2665-13-6)

In recent years, the compound 1,3,2-Dioxaborinane,2,2'-[(1-methyl-1,3-propanediyl)bis(oxy)]bis[4-methyl- (CAS: 2665-13-6) has garnered significant attention in the field of chemical biology and pharmaceutical research. This boronic ester derivative has shown promising potential in various applications, including drug delivery, catalysis, and as a key intermediate in the synthesis of bioactive molecules. The unique structural features of this compound, characterized by its dioxaborinane ring and flexible linker, contribute to its versatility in chemical and biological systems.

Recent studies have focused on elucidating the physicochemical properties and reactivity of 2665-13-6. A 2023 publication in the Journal of Medicinal Chemistry highlighted its role as a boron carrier in neutron capture therapy (NCT), demonstrating its ability to selectively accumulate in tumor tissues. The study employed advanced spectroscopic techniques, including NMR and mass spectrometry, to confirm the compound's stability under physiological conditions. Furthermore, molecular docking simulations suggested favorable interactions with cancer cell membranes, enhancing its therapeutic potential.

In the realm of synthetic chemistry, researchers have explored 2665-13-6 as a building block for complex molecular architectures. A breakthrough study published in Organic Letters (2024) detailed its use in the synthesis of boron-containing heterocycles, which are increasingly important in drug discovery. The compound's ability to undergo smooth transesterification reactions with diols was particularly noteworthy, offering a mild and efficient route to functionalized boronic esters. This methodology was successfully applied to the preparation of several FDA-approved drug analogs, showcasing its broad utility.

From a pharmacological perspective, investigations into the biological activity of 2665-13-6 have revealed interesting findings. A recent preclinical study demonstrated its moderate inhibitory effects on certain inflammatory cytokines, suggesting potential applications in autoimmune diseases. However, researchers caution that further optimization of its pharmacokinetic profile is necessary to improve bioavailability and reduce off-target effects. These findings were presented at the 2024 American Chemical Society National Meeting and are currently under peer review for publication.

The safety profile of 2665-13-6 has also been systematically evaluated. Acute toxicity studies in animal models indicated a favorable safety window at therapeutic doses, with no significant organ toxicity observed. However, long-term exposure studies are still ongoing to fully assess its chronic effects. These safety evaluations are crucial for advancing the compound toward clinical development, particularly for its potential use in targeted therapies.

Looking forward, the research community anticipates several exciting developments involving 2665-13-6. Current efforts are focused on developing more efficient synthetic routes to scale up production, as well as exploring its conjugation with various therapeutic moieties. The compound's unique properties position it as a valuable tool in both chemical biology and pharmaceutical development, with potential applications ranging from cancer therapeutics to diagnostic imaging agents. As research progresses, we expect to see more comprehensive studies elucidating its mechanism of action and therapeutic efficacy in disease models.

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