2H-Pyran-3-carboxylic acid, 2-oxo-, methyl ester


Chemical Name: 2H-Pyran-3-carboxylic acid, 2-oxo-, methyl ester
CAS Number: 25991-27-9
Product Number: AG002RB5(AGN-PC-0JLLE7)
Synonyms:
MDL No:
Molecular Formula: C7H6O4
Molecular Weight: 154.1201

Identification/Properties


Properties
MP:
75-77 °C(lit.)
BP:
146-148 °C0.75 mm Hg(lit.)
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.4300 (estimate)
Computed Properties
Molecular Weight:
154.121g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
154.027g/mol
Monoisotopic Mass:
154.027g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
249
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2-oxo-2H-pyran-3-carboxylate finds significant utility in chemical synthesis as a versatile building block. This compound serves as a key intermediate in the preparation of various pharmaceutically important molecules and organic compounds. Through its involvement in numerous reactions, Methyl 2-oxo-2H-pyran-3-carboxylate enables the formation of structurally diverse compounds, making it a valuable tool in the synthesis of complex organic molecules. Its unique chemical properties and reactivity allow for the introduction of functional groups and structural modifications, facilitating the development of novel compounds with enhanced properties and biological activities. This compound plays a crucial role in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, showcasing its significance in modern organic chemistry.