tert-Butyl 6-hydroxyindoline-1-carboxylate


Chemical Name: tert-Butyl 6-hydroxyindoline-1-carboxylate
CAS Number: 957204-30-7
Product Number: AG00IJEJ(AGN-PC-0WAFAL)
Synonyms:
MDL No:
Molecular Formula: C13H17NO3
Molecular Weight: 235.2790

Identification/Properties


Computed Properties
Molecular Weight:
235.283g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
235.121g/mol
Monoisotopic Mass:
235.121g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
298
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-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



Tert-Butyl 6-hydroxyindoline-1-carboxylate is a valuable chemical compound that finds extensive application in chemical synthesis processes. With its unique structure and reactivity, this compound serves as a versatile building block for the creation of various complex organic molecules. Specifically, in chemical synthesis, tert-Butyl 6-hydroxyindoline-1-carboxylate acts as a key intermediate in the construction of bioactive compounds, pharmaceuticals, and agrochemicals. Its presence in synthetic pathways allows for the introduction of specific functional groups and stereochemical elements, enabling chemists to tailor the properties of the final products for desired applications. Through strategic manipulation and transformation, this compound facilitates the efficient and precise synthesis of diverse molecular structures, making it an indispensable tool in the realm of organic chemistry.