1H-Indole-3-carboxaldehyde, 1,2-dimethyl-


Chemical Name: 1H-Indole-3-carboxaldehyde, 1,2-dimethyl-
CAS Number: 38292-40-9
Product Number: AG007AB4(AGN-PC-0JTK1H)
Synonyms:
MDL No:
Molecular Formula: C11H11NO
Molecular Weight: 173.2111

Identification/Properties


Computed Properties
Molecular Weight:
173.215g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
173.084g/mol
Monoisotopic Mass:
173.084g/mol
Topological Polar Surface Area:
22A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1,2-Dimethyl-1H-indole-3-carbaldehyde is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and functional materials.With its substituted indole structure, 1,2-Dimethyl-1H-indole-3-carbaldehyde participates in a range of important synthetic transformations, including condensation reactions, Grignard reactions, and cross-coupling reactions. Its functional aldehyde group enables facile modification through various chemical reactions, allowing for the introduction of different functional groups to tailor the molecule's properties for specific applications.In the field of drug discovery and development, 1,2-Dimethyl-1H-indole-3-carbaldehyde is often employed as a key intermediate in the synthesis of biologically active compounds such as pharmaceuticals and natural products. Its structural features make it a valuable precursor for the construction of diverse molecular scaffolds with potential medicinal properties.Furthermore, in the agrochemical industry, this compound plays a crucial role in the synthesis of pesticides, herbicides, and fungicides. Its ability to undergo diverse chemical reactions makes it a valuable tool for the design and production of effective agricultural chemicals to protect crops and enhance yields.Overall, 1,2-Dimethyl-1H-indole-3-carbaldehyde's versatility and reactivity make it a valuable building block in chemical synthesis, enabling the creation of a wide range of functional molecules with applications across pharmaceuticals, agrochemicals, and materials science.