4H-Indol-4-one, 1,5,6,7-tetrahydro-2-methyl-


Chemical Name: 4H-Indol-4-one, 1,5,6,7-tetrahydro-2-methyl-
CAS Number: 35308-68-0
Product Number: AG003HN3(AGN-PC-0MTZ17)
Synonyms:
MDL No:
Molecular Formula: C9H11NO
Molecular Weight: 149.1897

Identification/Properties


Properties
MP:
161.582 °C
BP:
330.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
149.193g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
149.084g/mol
Monoisotopic Mass:
149.084g/mol
Topological Polar Surface Area:
32.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
178
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one, commonly referred to as $name$, is a vital compound in chemical synthesis processes. This versatile molecule serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Due to its unique structure and reactivity, 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one is employed in the synthesis of complex organic molecules through cyclization reactions, functional group transformations, and cascade reactions. Its presence in the chemical synthesis toolkit enables chemists to access diverse molecular scaffolds and design novel compounds with potential applications in drug discovery, materials science, and more. In summary, the strategic utilization of 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one in chemical synthesis facilitates the efficient construction of valuable molecules with diverse functionalities and properties.