3,6,9,12-Tetraoxapentadec-14-yn-1-ol

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3,6,9,12-Tetraoxapentadec-14-yn-1-ol

3,6,9,12-Tetraoxapentadec-14-yn-1-ol | 87450-10-0

Catalog Number R01-0191
Category Alkynes
Molecular Formula C₁₁H₂₀O₅
Molecular Weight 232.27
Catalog Number Size Price Quantity
R01-0191 -- $--

Product Introduction

3,6,9,12-Tetraoxapentadec-14-yn-1-ol is a polyethylene glycol (PEG)-based PROTAC linker that can be used in the synthesis of a series of PROTACs.

Chemical Information

Related CAS 32199-97-6 (polymer)
Synonyms Propargyl-PEG5-alcohol; HC≡C-CH2-PEG4-OH; Propyne-PEG4-OH; Propargyl-PEG4-OH; 3,6,9,12-Tetraoxa-14-pentadecyne-1-ol; 15-hydroxy-4,7,10,13-tetraoxapentadec-1-yne
Purity >97%
IUPAC Name 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanol
Canonical SMILES C#CCOCCOCCOCCOCCO
InChI InChI=1S/C11H20O5/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1,12H,3-11H2
InChI Key WQMJFCWQBPUZCK-UHFFFAOYSA-N
Solubility Soluble in DMSO
Density 1.071±0.06 g/cm3 (Predicted)
Appearance Colorless or Light Yellowish Liquid
Boiling Point 324.4±32.0 °C at 760 mmHg
  • Product Specification
  • Application
Storage Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
Signal Warning
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

1. Pharmaceutical Applications: 3,6,9,12-Tetraoxapentadec-14-yn-1-ol has garnered significant interest in the pharmaceutical industry due to its unique chemical structure, which contributes to its potential as a therapeutic agent. Its multifunctionality allows it to be explored in the development of novel drug formulations, particularly as a solvent or stabilizing agent for active pharmaceutical ingredients (APIs). This compound can enhance the solubility and bioavailability of hydrophobic drugs, making it an essential component in improving the efficacy of various medications. Additionally, its biocompatibility supports its use in drug delivery systems, including liposomes and polymeric nanoparticles, which are vital for targeted therapy and reducing side effects.

2. Cosmetic Formulations: In the cosmetics sector, 3,6,9,12-Tetraoxapentadec-14-yn-1-ol serves as a valuable ingredient in skin care formulations. Its hydrophilic properties allow for effective moisture retention, making it an excellent humectant that helps maintain skin hydration. Furthermore, the compound's stability and compatibility with various emulsifiers enhance the texture and application of creams and lotions. Its antioxidant properties may also protect skin from oxidative stress, promoting overall skin health. Thus, the incorporation of this compound in cosmetic products can lead to improved skin appearance and feel, driving consumer interest in high-quality skincare solutions.

3. Industrial Applications: 3,6,9,12-Tetraoxapentadec-14-yn-1-ol is also finding its place in various industrial applications, particularly in the synthesis of specialty chemicals. Its unique structure makes it a versatile intermediate for producing other functionalized compounds. This property is particularly advantageous in the manufacturing of surfactants, which are crucial for numerous applications, including detergents, emulsifiers, and dispersants. The compound can enhance the performance and stability of these products, contributing to their effectiveness in industrial processes. Additionally, its role in polymer chemistry as a reactive diluent can optimize polymer formulations, improving properties such as flexibility and strength.

4. Research and Development: In the realm of research and development, 3,6,9,12-Tetraoxapentadec-14-yn-1-ol is an important molecule for studying chemical reactivity and interactions. Its diverse functional groups allow researchers to explore various chemical transformations and the synthesis of new compounds. This exploration is vital for advancing knowledge in organic chemistry and materials science, potentially leading to breakthroughs in novel materials and applications. Furthermore, it serves as a model compound for investigating the physicochemical properties of similar structures, fostering innovation in synthetic methodologies and expanding the toolkit available to chemists.

Computed Properties

XLogP3 -0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 12
Exact Mass 232.13107373 g/mol
Monoisotopic Mass 232.13107373 g/mol
Topological Polar Surface Area 57.2Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 175
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
WO-2022190915-A1 Novel compound or salt thereof, and antitumor activator containing same as active ingredient 2021-03-10
WO-2022150726-A1 Hypoimmunogenic biotherapeutics 2021-01-11
WO-2021018018-A1 Degradation of bruton's tyrosine kinase (btk) by conjugation of btk inidbitors with e3 ligase ligand and methods of use 2019-07-26
US-2022281876-A1 Degradation of bruton's tyrosine kinase (btk) by conjugation of btk inhibitors with e3 ligase ligand and methods of use 2019-07-26
WO-2021011913-A1 Tau-protein targeting compounds and associated methods of use 2019-07-17
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