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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-Isoxazolecarboxylic acid, 3-methyl-5-(1-methylethyl)-

CC(c1onc(c1C(=O)O)C)C Request for Quotation
Chemical Name: 4-Isoxazolecarboxylic acid, 3-methyl-5-(1-methylethyl)-
CAS Number: 90087-36-8
Product Number: AG00IG0Q(AGN-PC-0LK8XL)
Synonyms:
MDL No:
Molecular Formula: C8H11NO3
Molecular Weight: 169.1778

Identification/Properties

Computed Properties
Molecular Weight:
169.18g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.074g/mol
Monoisotopic Mass:
169.074g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Isopropyl-3-methylisoxazole-4-carboxylic acid, also known as $name$, is a versatile compound widely used in chemical synthesis for its unique properties. In organic synthesis, it serves as a key building block in the development of pharmaceuticals, agrochemicals, and fine chemicals. Its structural features make it a valuable intermediate in the creation of various biologically active compounds.Specifically, $name$ can be used as a precursor in the synthesis of heterocyclic compounds due to its isoxazole ring structure. The carboxylic acid group allows for easy functionalization, enabling further derivatization to produce a diverse array of molecules with tailored properties. Additionally, the isopropyl and methyl substituents provide steric hindrance that can influence the reactivity and selectivity of reactions involving $name$.Moreover, the presence of the isopropyl group can enhance the lipophilicity of derivatives, making them more suitable for certain applications such as drug delivery systems or bioconjugation chemistry. Overall, the strategic placement of functional groups in $name$ makes it a valuable tool for synthetic chemists seeking to construct complex molecules with specific biological or physical properties.