1-O-tert-butyl 3-O-methyl 3-fluoropiperidine-1,3-dicarboxylate


Chemical Name: 1-O-tert-butyl 3-O-methyl 3-fluoropiperidine-1,3-dicarboxylate
CAS Number: 934342-31-1
Product Number: AG003RK0(AGN-PC-086FUJ)
Synonyms:
MDL No: MFCD15071782
Molecular Formula: C12H20FNO4
Molecular Weight: 261.2899

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
261.293g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
261.138g/mol
Monoisotopic Mass:
261.138g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
340
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-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



The chemical compound Methyl 1-Boc-3-fluoropiperidine-3-carboxylate plays a crucial role in chemical synthesis as a versatile building block. Its unique structure containing a Boc (tert-butoxycarbonyl) protective group and a fluorine atom allows for selective manipulations in organic chemistry reactions. With its cyclical piperidine ring, this compound can serve as a crucial intermediate in the synthesis of various pharmaceuticals, agrochemicals, and materials.In chemical synthesis, Methyl 1-Boc-3-fluoropiperidine-3-carboxylate can act as a key starting material for the preparation of complex molecules with specific biological activities. By strategically removing the Boc protective group or utilizing the fluorine atom for further functionalization, chemists can create diverse structural analogs and derivatives for drug discovery and development. Additionally, the piperidine moiety offers opportunities for scaffold diversification, enabling the synthesis of novel compounds with improved properties.Overall, the application of Methyl 1-Boc-3-fluoropiperidine-3-carboxylate in chemical synthesis underscores its importance as a valuable tool for designing and creating new molecules with potential therapeutic or industrial applications.