benzyl 2,9-diazaspiro[5.5]undecane-2-carboxylate


Chemical Name: benzyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
CAS Number: 1086394-61-7
Product Number: AG0095QC(AGN-PC-0HH48A)
Synonyms:
MDL No: MFCD11223509
Molecular Formula: C17H24N2O2
Molecular Weight: 288.3847

Identification/Properties


Computed Properties
Molecular Weight:
288.391g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
288.184g/mol
Monoisotopic Mass:
288.184g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
347
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



Benzyl 2,9-diazaspiro[5.5]undecane-2-carboxylate is a versatile compound commonly utilized in chemical synthesis for its unique structural properties and reactivity. In organic synthesis, it serves as a valuable building block due to the presence of the benzyl and carboxylate groups, which can undergo various functional group transformations to introduce desired chemical functionalities into target molecules. This compound is particularly useful in the preparation of heterocyclic compounds and pharmaceutical intermediates, where its spirocyclic structure imparts interesting stereochemical characteristics and biological activity. By incorporating Benzyl 2,9-diazaspiro[5.5]undecane-2-carboxylate into synthetic routes, chemists can access complex molecular architectures and enhance the efficiency of multi-step synthesis strategies.