4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate


Chemical Name: 4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate
CAS Number: 129799-14-0
Product Number: AG000TP2(AGN-PC-03S6AT)
Synonyms:
MDL No:
Molecular Formula: C19H26N2O6
Molecular Weight: 378.4195

Identification/Properties


Computed Properties
Molecular Weight:
378.425g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
378.179g/mol
Monoisotopic Mass:
378.179g/mol
Topological Polar Surface Area:
85.4A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
539
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#:
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



4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate is a versatile compound that finds wide application in chemical synthesis processes. As a functionalized piperazine derivative, this compound serves as a valuable building block for the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure makes it a key intermediate in the production of complex organic molecules.In chemical synthesis, 4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate can be utilized as a coupling reagent or a protecting group, allowing for selective modification of other functional groups present in a molecule. It can facilitate the formation of amide or ester linkages through its carboxylate groups, enabling the creation of new chemical bonds in a controlled manner. Additionally, the benzyl and tert-butyl substituents provide steric hindrance and can influence the reactivity and selectivity of reactions involving the compound.Overall, the strategic incorporation of 4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate in chemical synthesis processes offers opportunities for the efficient construction of diverse organic compounds with tailored properties and functionalities. Its versatility and reactivity make it a valuable tool for synthetic chemists seeking to design and prepare novel molecules for various applications.