tert-butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate


Chemical Name: tert-butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate
CAS Number: 690632-03-2
Product Number: AG005LRX(AGN-PC-0KL73A)
Synonyms:
MDL No:
Molecular Formula: C16H22N2O5
Molecular Weight: 322.3563

Identification/Properties


Properties
MP:
91 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
322.361g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
322.153g/mol
Monoisotopic Mass:
322.153g/mol
Topological Polar Surface Area:
84.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
421
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:
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-nitrophenoxy)piperidine-1-carboxylate compound serves as a versatile building block in chemical synthesis processes. Its unique structure containing a piperidine ring and a nitrophenyl group offers various opportunities for constructing complex molecules in organic chemistry. This compound can be utilized as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. By incorporating tert-Butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate into reaction sequences, chemists can access a diverse range of functionalized products with potential applications in drug discovery, material science, and chemical research.