1,3-Benzodioxol-4-amine


Chemical Name: 1,3-Benzodioxol-4-amine
CAS Number: 1668-84-4
Product Number: AG001WYJ(AGN-PC-0N2DU8)
Synonyms:
MDL No:
Molecular Formula: C7H7NO2
Molecular Weight: 137.1360

Identification/Properties


Computed Properties
Molecular Weight:
137.138g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
137.048g/mol
Monoisotopic Mass:
137.048g/mol
Topological Polar Surface Area:
44.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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

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NMR Spectrum


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Chemical Structure



4-Amino-1,3-benzodioxole, also known as 3,4-methylenedioxyaniline, is a versatile chemical compound widely utilized in various chemical synthesis processes. This compound plays a crucial role in organic chemistry due to its unique structure and reactivity.One of the key applications of 4-Amino-1,3-benzodioxole in chemical synthesis is its use as a building block in the synthesis of biologically active compounds. By incorporating 4-Amino-1,3-benzodioxole into the molecular structure of target compounds, chemists can potentially enhance the biological activity or selectivity of the final product. Additionally, this compound can serve as a precursor for the synthesis of heterocyclic compounds, which are essential in drug discovery and development.Moreover, 4-Amino-1,3-benzodioxole can participate in various types of chemical reactions such as nucleophilic substitution, aromatic electrophilic substitution, and transition metal-catalyzed reactions. Its amino group and aromatic ring make it a valuable starting material for the synthesis of complex molecules with diverse functionalities.Overall, 4-Amino-1,3-benzodioxole is a versatile compound with significant applications in chemical synthesis, particularly in the development of pharmaceuticals, agrochemicals, and fine chemicals. Its role as a building block for the construction of biologically active compounds underscores its importance in modern organic chemistry research and industry.