Propargyl ether - CAS 6921-27-3
Catalog: |
BB033732 |
Product Name: |
Propargyl ether |
CAS: |
6921-27-3 |
Synonyms: |
3-(prop-2-yn-1-yloxy)prop-1-yne; Dipropargyl ether; Bis-propargyl-PEG1; 1-Propyne, 3,3'-oxybis-; Bispropargyl ether; Di(2-propynyl) ether; Bis(2-propynyl) ether; 3-(2-Propynyloxy)-1-propyne |
IUPAC Name: | 3-prop-2-ynoxyprop-1-yne |
Description: | Propargyl ether is a homobifunctional PEG linker with two propargyl groups. The propargyl group forms triazole linkage with azide-bearing compounds or biomolecules via copper catalyzed Click Chemistry. |
Molecular Weight: | 94.11 |
Molecular Formula: | C6H6O |
Canonical SMILES: | C#CCOCC#C |
InChI: | InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2 |
InChI Key: | HRDCVMSNCBAMAM-UHFFFAOYSA-N |
Boiling Point: | 55-57°C at 65 mmHg |
Purity: | ≥95% |
Density: | 0.914 g/mL at 25°C |
Appearance: | Pale Yellow or Colorless Oily Liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00048108 |
LogP: | 0.26940 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27137136 | 20160620 | Structure-Function Studies of Naphthalene, Phenanthrene, Biphenyl, and Their Derivatives in Interaction with and Oxidation by Cytochromes P450 2A13 and 2A6 | Chemical research in toxicology |
22246680 | 20120220 | Rapid access to chroman-3-ones through gold-catalyzed oxidation of propargyl aryl ethers | Angewandte Chemie (International ed. in English) |
22176537 | 20120118 | Simultaneous synthesis of both rings of chromenes via a benzannulation/o-quinone methide formation/electrocyclization cascade | Journal of the American Chemical Society |
22209457 | 20120115 | SAR studies of C2 ethers of 2H-pyrano[2,3-d]pyrimidine-2,4,7(1H,3H)-triones as nicotinic acid receptor (NAR) agonist | Bioorganic & medicinal chemistry letters |
22148427 | 20120112 | Niphatenones, glycerol ethers from the sponge Niphates digitalis block androgen receptor transcriptional activity in prostate cancer cells: structure elucidation, synthesis, and biological activity | Journal of medicinal chemistry |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 94.041864811 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 94.041864811 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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