1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid


Chemical Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CAS Number: 959236-11-4
Product Number: AG00IJIR(AGN-PC-07A888)
Synonyms:
MDL No: MFCD08461330
Molecular Formula: C14H23NO4
Molecular Weight: 269.3367

Identification/Properties


Computed Properties
Molecular Weight:
269.341g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
269.163g/mol
Monoisotopic Mass:
269.163g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
372
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Allyl-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid, also known as ABCP, is a versatile compound widely used in chemical synthesis. Due to its unique structure, ABCP is commonly employed as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and functional materials. In organic synthesis, ABCP serves as a crucial building block for constructing complex molecular structures with specific functionalities. Its allyl group allows for diverse chemical transformations, enabling the creation of novel compounds with tailored properties. Furthermore, the tert-butoxycarbonyl protecting group enhances the selectivity and efficiency of reactions involving the piperidine ring, making ABCP a valuable tool in the synthesis of biologically active compounds and advanced materials.