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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, 5-methyl-, methyl ester

COC(=O)c1cnoc1C Request for Quotation
Chemical Name: 4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester
CAS Number: 100047-54-9
Product Number: AG0000NF(AGN-PC-03NRSL)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3
Molecular Weight: 141.1247

Identification/Properties

Computed Properties
Molecular Weight:
141.126g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
141.043g/mol
Monoisotopic Mass:
141.043g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
137
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-methylisoxazole-4-carboxylate is a versatile compound widely utilized in chemical synthesis for its significant applications in various reactions. This compound serves as a key building block in the construction of diverse heterocyclic structures, making it an essential component in the creation of pharmaceuticals, agrochemicals, and advanced materials.The presence of the isoxazole ring in Methyl 5-methylisoxazole-4-carboxylate offers unique reactivity, enabling the formation of complex molecular frameworks through functional group interconversions and bond formations. This compound acts as a valuable intermediate in the synthesis of bioactive molecules and drug candidates, providing a strategic starting point for the development of new chemical entities with targeted pharmacological properties.Moreover, Methyl 5-methylisoxazole-4-carboxylate exhibits excellent compatibility with a variety of synthetic methodologies, facilitating its incorporation into multi-step synthesis routes for the efficient production of target compounds. Its structural features make it an indispensable tool for organic chemists seeking to design and prepare novel molecular structures with specific functional characteristics.Overall, the strategic utilization of Methyl 5-methylisoxazole-4-carboxylate in chemical synthesis enables the rapid and cost-effective assembly of complex molecules, highlighting its significance as a key ingredient in the pursuit of advanced material design and drug discovery endeavors.