4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-


Chemical Name: 4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-
CAS Number: 53350-26-8
Product Number: AG00DEQR(AGN-PC-0JRWZG)
Synonyms:
MDL No:
Molecular Formula: C20H20O7
Molecular Weight: 372.3686

Identification/Properties


Properties
MP:
193-195°C
BP:
554.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
372.373g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
372.121g/mol
Monoisotopic Mass:
372.121g/mol
Topological Polar Surface Area:
72.4A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
534
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



5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one is a versatile compound widely used in chemical synthesis. In organic chemistry, it serves as a key building block for the creation of complex molecules due to its unique structural features. This compound is particularly valuable in the development of new pharmaceuticals, agrochemicals, and materials due to its ability to undergo various functional group transformations, such as oxidation, reduction, and substitution reactions. Additionally, 5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one can be utilized in the synthesis of natural products and as a precursor for the preparation of bioactive compounds with potential medicinal properties. Its presence in the chemical synthesis toolkit highlights its significance in advancing the field of organic chemistry.