Methyl 2-oxo-2H-pyran-3-carboxylate - CAS 25991-27-9
Catalog: |
BB019100 |
Product Name: |
Methyl 2-oxo-2H-pyran-3-carboxylate |
CAS: |
25991-27-9 |
Synonyms: |
methyl 2-oxopyran-3-carboxylate |
IUPAC Name: | methyl 2-oxopyran-3-carboxylate |
Description: | Methyl 2-oxo-2H-pyran-3-carboxylate (CAS# 25991-27-9) is used as a reagent in the construction of A and C ring intermediates and initial attempts to construct ABC ring system of taxol. |
Molecular Weight: | 154.12 |
Molecular Formula: | C7H6O4 |
Canonical SMILES: | COC(=O)C1=CC=COC1=O |
InChI: | InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3 |
InChI Key: | GJVZWOMUTYNUCE-UHFFFAOYSA-N |
Boiling Point: | 146-148 °C0.75 mmHg (lit.) |
Melting Point: | 75-77 °C (lit.) |
Purity: | 95 % |
Density: | 1.326 g/cm3 |
Appearance: | Dull yellow to orange powder |
MDL: | MFCD00075443 |
LogP: | 0.42640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021062245-A1 | Pyridone compounds and methods of use in the modulation of a protein kinase | 20190926 |
US-2021032759-A1 | Corrosion inhibitor composition and methods of inhibiting corrosion during acid pickling | 20190730 |
WO-2021020362-A1 | Heterocyclic compound | 20190729 |
US-2020369951-A1 | Methods of inhibiting corrosion with acidic treatment fluids | 20190521 |
US-2020339871-A1 | Methods of inhibiting corrosion in acid stimulation operations | 20190429 |
PMID | Publication Date | Title | Journal |
21058694 | 20101203 | A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones | Organic letters |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Carbonyl Compounds
Pyrans
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