1H-Indole-3-carboxaldehyde, 7-(phenylmethoxy)-


Chemical Name: 1H-Indole-3-carboxaldehyde, 7-(phenylmethoxy)-
CAS Number: 92855-65-7
Product Number: AG003NDC(AGN-PC-0JNW84)
Synonyms:
MDL No:
Molecular Formula: C16H13NO2
Molecular Weight: 251.2799

Identification/Properties


Properties
MP:
152-155 °C
BP:
474.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Air Sensitive
Computed Properties
Molecular Weight:
251.285g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
251.095g/mol
Monoisotopic Mass:
251.095g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
301
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



7-Benzyloxyindole-3-carbaldehyde is a versatile compound widely utilized in chemical synthesis due to its unique reactivity and structural properties. This compound serves as a valuable building block in organic chemistry, specifically in the synthesis of various heterocyclic compounds and pharmaceutical intermediates. Its aldehyde functional group makes it a crucial component in the formation of new carbon-carbon and carbon-nitrogen bonds through various synthetic methods such as aldol condensation, Mannich reaction, and Grignard reactions. Furthermore, the presence of the benzyl ether group provides stability to the molecule while also offering synthetic flexibility for further modification. Overall, 7-Benzyloxyindole-3-carbaldehyde plays a pivotal role in the construction of complex molecular structures, making it an indispensable tool for organic chemists in the pursuit of developing novel compounds with potential therapeutic applications.