tert-butyl 4-[(2S)-2-hydroxypropyl]piperazine-1-carboxylate


Chemical Name: tert-butyl 4-[(2S)-2-hydroxypropyl]piperazine-1-carboxylate
CAS Number: 745738-05-0
Product Number: AG00FSX7(AGN-PC-09E90H)
Synonyms:
MDL No:
Molecular Formula: C12H24N2O3
Molecular Weight: 244.3306

Identification/Properties


Computed Properties
Molecular Weight:
244.335g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
244.179g/mol
Monoisotopic Mass:
244.179g/mol
Topological Polar Surface Area:
53A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
255
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate is a versatile compound widely utilized in chemical synthesis. Its unique structure, incorporating both a piperazine ring and a tert-butyl ester group, makes it a valuable building block in organic chemistry. In chemical synthesis, this compound serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its piperazine moiety offers multiple functionalization points, enabling the introduction of diverse substituents to modulate the compound's properties. Additionally, the presence of the tert-butyl ester group provides stability during synthetic transformations and can be selectively cleaved under mild conditions to reveal the carboxylic acid functionality.Furthermore, tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate exhibits excellent solubility in a wide range of organic solvents, facilitating its incorporation into reaction mixtures and purification processes. Its compatibility with standard laboratory techniques makes it a convenient choice for chemists working on the synthesis of complex molecules.Overall, the application of tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate in chemical synthesis highlights its significance as a valuable building block for the construction of diverse molecular architectures with potential pharmaceutical and industrial applications.