methyl 6-amino-1H-indole-3-carboxylate


Chemical Name: methyl 6-amino-1H-indole-3-carboxylate
CAS Number: 1249763-34-5
Product Number: AG000MXK(AGN-PC-0DXM6J)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O2
Molecular Weight: 190.1986

Identification/Properties


Computed Properties
Molecular Weight:
190.202g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
190.074g/mol
Monoisotopic Mass:
190.074g/mol
Topological Polar Surface Area:
68.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
232
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 6-amino-1H-indole-3-carboxylate is a valuable compound in chemical synthesis, known for its diverse applications in the production of pharmaceuticals, agrochemicals, and materials science. This versatile intermediate is widely used in the preparation of various indole derivatives, which are essential building blocks in drug discovery and development.In chemical synthesis, Methyl 6-amino-1H-indole-3-carboxylate serves as a key starting material for the synthesis of indole-based compounds with biological activity. Its amino and ester functional groups can undergo a variety of chemical transformations, such as acylation, alkylation, and cyclization reactions, to introduce different substituents and modify the molecular structure.One common application of Methyl 6-amino-1H-indole-3-carboxylate is in the synthesis of pharmaceutical compounds with potent biological properties. By incorporating this intermediate into the chemical structure, medicinal chemists can fine-tune the pharmacological profile of the final drug candidate, aiming for enhanced efficacy, selectivity, and safety.Additionally, Methyl 6-amino-1H-indole-3-carboxylate plays a crucial role in the development of agrochemicals, where indole derivatives are used as active ingredients in pesticides and herbicides. Its chemical reactivity allows for the introduction of functional groups that can improve the performance and environmental impact of agricultural chemicals.Furthermore, in materials science, Methyl 6-amino-1H-indole-3-carboxylate can be utilized for the synthesis of specialized polymers, dyes, and coatings with tailored properties. Its structural versatility enables the generation of novel materials with unique characteristics, such as conductivity, solubility, or optical properties.Overall, the application of Methyl 6-amino-1H-indole-3-carboxylate in chemical synthesis is instrumental in the discovery and design of new compounds with diverse functionalities and applications across pharmaceutical, agrochemical, and materials fields.