tert-butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate


Chemical Name: tert-butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate
CAS Number: 954240-14-3
Product Number: AG0060AC(AGN-PC-080U1B)
Synonyms:
MDL No: MFCD09701315
Molecular Formula: C14H26N2O2
Molecular Weight: 254.3684

Identification/Properties


Properties
BP:
354.137 °C at 760 mmHg
Storage:
2-8℃;Light sensitive;Keep in dry area;
Computed Properties
Molecular Weight:
254.374g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
254.199g/mol
Monoisotopic Mass:
254.199g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



tert-Butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate is a versatile compound used in chemical synthesis for its unique properties and reactivity. This compound is commonly employed as a building block in the synthesis of various organic molecules due to its spirocyclic structure, which confers structural rigidity and stereochemical control to the products. In addition, tert-Butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate serves as a valuable intermediate in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its incorporation in complex molecular structures allows for the modulation of biological activity and physical properties, making it an essential component in the toolkit of synthetic chemists. Its application in chemical synthesis extends to the creation of diverse molecular architectures with tailored functionalities, highlighting its significance in the realm of organic chemistry.