Carbamic acid, 3-isoxazolyl-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, 3-isoxazolyl-, 1,1-dimethylethyl ester
CAS Number: 264600-97-7
Product Number: AG002TBK(AGN-PC-03ISV1)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O3
Molecular Weight: 184.1925

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
184.195g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
184.085g/mol
Monoisotopic Mass:
184.085g/mol
Topological Polar Surface Area:
64.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
188
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



tert-Butyl isoxazol-3-ylcarbamate, also known as $name$, is a versatile compound widely utilized in chemical synthesis. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties and reactivity. In chemical synthesis, $name$ functions as an important intermediate in the formation of complex organic molecules, providing a key structural motif that can be further modified to introduce specific functionalities or enhance biological activity. By incorporating $name$ into synthetic pathways, chemists can access a diverse range of molecular scaffolds and achieve efficient synthesis of target compounds with desired properties. Additionally, the presence of the tert-butyl group in $name$ enhances its stability and allows for precise control over reactivity, enabling strategic manipulation of molecular structure during synthesis. Overall, the application of tert-Butyl isoxazol-3-ylcarbamate in chemical synthesis offers researchers a powerful tool for designing and constructing novel compounds with potential applications in various fields of science and technology.