(1-acetylpiperidin-4-yl)methanesulfonyl chloride


Chemical Name: (1-acetylpiperidin-4-yl)methanesulfonyl chloride
CAS Number: 1249687-64-6
Product Number: AG019XIJ(AGN-PC-0WO7K6)
Synonyms:
MDL No: MFCD14688475
Molecular Formula: C8H14ClNO3S
Molecular Weight: 239.7197

Identification/Properties


Computed Properties
Molecular Weight:
239.714g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
239.038g/mol
Monoisotopic Mass:
239.038g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
301
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

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Chemical Structure



The (1-acetylpiperidin-4-yl)methanesulfonyl chloride is a versatile and valuable compound in chemical synthesis. It serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals due to its unique reactivity and functional groups. The acetyl group provides a site for further derivatization, while the sulfonyl chloride moiety enables selective functionalization of specific positions within a molecule. This compound is commonly used as a mild acylating agent, allowing for the introduction of acetyl groups onto nucleophilic molecules under relatively mild reaction conditions. Moreover, the presence of the piperidine ring imparts steric and electronic properties that can influence the reactivity and selectivity of the compound in various chemical transformations. Overall, the (1-acetylpiperidin-4-yl)methanesulfonyl chloride is a valuable building block in organic synthesis, offering a wide range of opportunities for the creation of complex and diverse chemical structures.