2-Butanone, 3,3-dimethyl-, oxime


Chemical Name: 2-Butanone, 3,3-dimethyl-, oxime
CAS Number: 2475-93-6
Product Number: AG002PBF(AGN-PC-0JMPKS)
Synonyms:
MDL No:
Molecular Formula: C6H13NO
Molecular Weight: 115.1735

Identification/Properties


Properties
Storage:
Room Temperature;Inert atmosphere;
Computed Properties
Molecular Weight:
115.176g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
115.1g/mol
Monoisotopic Mass:
115.1g/mol
Topological Polar Surface Area:
32.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
99.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H317-H319-H335
Precautionary Statements:
P261-P264-P271-P272-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Pinacolone oxime is a versatile compound frequently used in chemical synthesis due to its unique reactivity and potential for diverse applications. In organic chemistry, Pinacolone oxime serves as a valuable precursor for the synthesis of a variety of nitrogen-containing compounds. When subjected to various reaction conditions, Pinacolone oxime can undergo rearrangement reactions to form different functional groups, enabling chemists to access a wide range of complex molecules.One common application of Pinacolone oxime is in the synthesis of heterocyclic compounds. By utilizing Pinacolone oxime as a starting material, chemists can introduce nitrogen atoms into the molecular framework, allowing for the construction of diverse heterocycles with pharmacological or synthetic utility. Additionally, Pinacolone oxime can undergo cyclization reactions with appropriate reagents to form various types of N-heterocycles, expanding the synthetic toolbox available to chemists for the creation of novel compounds with desirable properties.Furthermore, Pinacolone oxime can serve as a key building block in the synthesis of pharmaceuticals and agrochemicals. Its ability to participate in multiple transformations, such as metal-catalyzed reactions or nucleophilic additions, makes it a valuable intermediate for the efficient construction of complex molecules. Chemists can leverage the reactivity of Pinacolone oxime to access structurally diverse compounds with potential biological activities, thus contributing to the development of new drugs or crop protection agents.Overall, the use of Pinacolone oxime in chemical synthesis underscores its importance as a versatile building block with the potential to enable the construction of intricate molecular architectures for various applications in medicinal chemistry, material science, and other fields.