1-Piperidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester


Chemical Name: 1-Piperidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester
CAS Number: 193629-39-9
Product Number: AG003ST4(AGN-PC-037B66)
Synonyms:
MDL No: MFCD04115539
Molecular Formula: C11H20BrNO2
Molecular Weight: 278.1860

Identification/Properties


Properties
BP:
318.3°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
278.19g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
277.068g/mol
Monoisotopic Mass:
277.068g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Boc-3-(Bromomethyl)piperidine is a versatile compound used in chemical synthesis for various applications. This compound acts as a key building block in the creation of complex organic molecules due to its unique structure and reactivity. Specifically, 1-Boc-3-(Bromomethyl)piperidine is often employed in the introduction of the Boc (tert-butyloxycarbonyl) protecting group, which serves to temporarily shield specific functional groups within a molecule during various synthetic transformations. This protection allows for selective manipulation of other reactive sites while preserving the desired functionality, a crucial strategy in organic synthesis. Additionally, the bromomethyl group present in 1-Boc-3-(Bromomethyl)piperidine enables further derivatization through cross-coupling reactions, allowing for the incorporation of diverse structural motifs. Overall, the strategic use of 1-Boc-3-(Bromomethyl)piperidine facilitates the synthesis of complex molecules with precise control over regioselectivity and functionality.