1-tert-Butyl 3-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate


Chemical Name: 1-tert-Butyl 3-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate
CAS Number: 1356339-26-8
Product Number: AG00HUB2(AGN-PC-0WA4U4)
Synonyms:
MDL No:
Molecular Formula: C13H21F2NO4
Molecular Weight: 293.3069

Identification/Properties


Computed Properties
Molecular Weight:
293.311g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
293.144g/mol
Monoisotopic Mass:
293.144g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
379
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-tert-Butyl 3-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate serves as a valuable building block in chemical synthesis due to its unique structural properties. This compound can be utilized as a versatile intermediate in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its presence in the molecular structure imparts distinct reactivity and functionality, allowing for the generation of complex molecules with specific stereoisomeric and substitution patterns. By incorporating 1-tert-Butyl 3-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate into synthetic routes, chemists can access a diverse array of target compounds with enhanced biological activities or tailored physicochemical properties.