1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride, (3S)-


Chemical Name: 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride, (3S)-
CAS Number: 912-60-7
Product Number: AG006PEJ(AGN-PC-0VRYHR)
Synonyms:
MDL No:
Molecular Formula: C22H24ClNO7
Molecular Weight: 449.8815

Identification/Properties


Properties
MP:
221-223 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
449.884g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
449.124g/mol
Monoisotopic Mass:
449.124g/mol
Topological Polar Surface Area:
75.7A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
647
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)- is a versatile chemical reagent used in various chemical synthesis processes. It is commonly employed in the synthesis of complex organic molecules due to its unique structural features and reactivity. With its specific chemical properties, this compound serves as a valuable building block for the creation of novel compounds and pharmaceutical intermediates. Its incorporation in chemical reactions can lead to the formation of diverse molecular structures, making it a valuable tool in the arsenal of synthetic chemists.