Tetrahydro-4H-pyran-4-one - CAS 29943-42-8
Catalog: |
BB020390 |
Product Name: |
Tetrahydro-4H-pyran-4-one |
CAS: |
29943-42-8 |
Synonyms: |
4H-Pyran-4-one, tetrahydro-; 2,3,5,6-Tetrahydro-4-pyranone; 2,3,5,6-Tetrahydropyran-4-one; 3,4,5,6-Tetrahydro-4H-pyran-4-one; 3,5,6-Trihydro-2H-pyran-4-one; 4-Oxacyclohexanone; 4-Oxotetrahydropyran; 4-Tetrahydropyranone; Dihydro-2H-pyran-4(3H)-one; Tetrahydro-2H-pyran-4-one; Tetrahydro-4-pyrone; Tetrahydro-γ-pyrone |
Related CAS: | 143562-54-3 (Tetrahydro-4H-Pyran-4-one, radical ion(2-))
|
IUPAC Name: | oxan-4-one |
Description: | Tetrahydro-4H-pyran-4-one (CAS# 29943-42-8) is used in organic synthesis as building block for more complex chemical structures because it participate in a variety of cycloaddition reactions. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | C1COCCC1=O |
InChI: | InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2 |
InChI Key: | JMJRYTGVHCAYCT-UHFFFAOYSA-N |
Boiling Point: | 166.5°C |
Melting Point: | 76-78°C |
Purity: | ≥95% |
Density: | 1.0980 g/cm3 |
MDL: | MFCD00006581 |
LogP: | 0.36590 |
GHS Hazard Statement: | H226 (96.49%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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CN-112939952-A | 3-hydroxy chalcone derivative and application thereof | 20210202 |
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PMID | Publication Date | Title | Journal |
23094717 | 20121102 | Rh-catalyzed addition of arylboroxines to cyclic N-(isopropanesulfinyl)ketimines | The Journal of organic chemistry |
22119428 | 20120501 | Ultrasound promoted synthesis of some novel fused pyrans | Ultrasonics sonochemistry |
21512596 | 20110330 | The preparation of 3-substituted-1,5-dibromopentanes as precursors to heteracyclohexanes | Beilstein journal of organic chemistry |
21522627 | 20101211 | (3E,5E)-3,5-Bis(4-hy-droxy-benzyl-idene)oxan-4-one | Acta crystallographica. Section E, Structure reports online |
21589608 | 20101127 | (3E,5E)-3,5-Bis(4-hy-droxy-3,5-di-methoxy-benzyl-idene)oxan-4-one monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 70.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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