tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride


Chemical Name: tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride
CAS Number: 236406-47-6
Product Number: AG002O0J(AGN-PC-0HCHQ3)
Synonyms:
MDL No: MFCD11656757
Molecular Formula: C14H27ClN2O2
Molecular Weight: 290.8294

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
290.832g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
290.176g/mol
Monoisotopic Mass:
290.176g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
293
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate hydrochloride plays a vital role in chemical synthesis as a versatile building block. With its unique structure and reactivity, this compound serves as a key intermediate in the synthesis of various complex organic molecules. Its presence allows for the introduction of the sterically hindered tert-butyl group, providing a means to control the overall stereochemistry of the final product. Additionally, the presence of the carbamate functional group enables further derivatization, allowing chemists to modify the molecule according to specific synthetic needs. Its application in chemical synthesis extends across a wide range of fields, including pharmaceuticals, agrochemicals, and materials science, where precise control over molecular structure is essential for achieving desired properties.