1-Piperazinecarboxylic acid, 4-(5-bromo-3-methyl-2-pyridinyl)-,1,1-dimethylethyl ester


Chemical Name: 1-Piperazinecarboxylic acid, 4-(5-bromo-3-methyl-2-pyridinyl)-,1,1-dimethylethyl ester
CAS Number: 878809-70-2
Product Number: AG003MFX(AGN-PC-0VHDZ5)
Synonyms:
MDL No:
Molecular Formula: C15H22BrN3O2
Molecular Weight: 356.2581

Identification/Properties


Properties
BP:
446.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
356.264g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
355.09g/mol
Monoisotopic Mass:
355.09g/mol
Topological Polar Surface Area:
45.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
364
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



Tert-Butyl 4-(5-bromo-3-methylpyridin-2-yl)piperazine-1-carboxylate is a versatile compound widely used in chemical synthesis. Its unique structure makes it an important building block in the development of pharmaceuticals, agrochemicals, and materials science. In organic synthesis, this compound serves as a key intermediate for the preparation of various heterocyclic compounds, which are essential in the design and development of bioactive molecules. Additionally, its presence in the chemical reaction mixture can facilitate the formation of complex structures with enhanced properties and functionalities. The use of tert-Butyl 4-(5-bromo-3-methylpyridin-2-yl)piperazine-1-carboxylate in chemical synthesis showcases its significance in enabling the creation of novel compounds with potential applications in various industries.