3-dimethoxyphosphoryl-3H-2-benzofuran-1-one


Chemical Name: 3-dimethoxyphosphoryl-3H-2-benzofuran-1-one
CAS Number: 61260-15-9
Product Number: AG00ECDE(AGN-PC-0NG6IY)
Synonyms:
MDL No:
Molecular Formula: C10H11O5P
Molecular Weight: 242.1651

Identification/Properties


Properties
MP:
97-99℃
BP:
402.0±45.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
242.167g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
242.034g/mol
Monoisotopic Mass:
242.034g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
321
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate is a versatile compound widely used in chemical synthesis as a key building block. Its unique structure allows it to participate in a variety of reactions, making it a valuable tool for organic chemists.One of the primary applications of Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate is in the synthesis of complex molecules such as pharmaceuticals, natural products, and specialty chemicals. Its phosphonate group is a useful functional group that can be easily modified to introduce other functionalities into the target molecule.Additionally, Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate can act as a masked form of a carboxylic acid, allowing for controlled release of the carboxylic acid functionality under specific reaction conditions. This feature is particularly valuable in multi-step synthesis where precise control over functional group interconversions is essential.Overall, Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate is a valuable reagent in chemical synthesis, enabling the efficient construction of complex molecules with diverse applications.