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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)-

5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester

COC(=O)c1cc(=O)[nH]o1 Request for Quotation
Chemical Name: 5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
CAS Number: 10068-07-2
Product Number: AG0002MG(AGN-PC-0KK0CN)
Synonyms:
MDL No:
Molecular Formula: C5H5NO4
Molecular Weight: 143.0975

Identification/Properties

Properties
MP:
167 - 168 °C
BP:
261.15°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5820 (estimate)
Computed Properties
Molecular Weight:
143.098g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
143.022g/mol
Monoisotopic Mass:
143.022g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
208
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-hydroxyisoxazole-5-carboxylate is a versatile compound frequently utilized in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and functional materials. Its unique molecular structure and reactivity make it an essential component in the development of complex organic molecules. As a valuable intermediate in the synthesis of heterocyclic compounds, Methyl 3-hydroxyisoxazole-5-carboxylate plays a crucial role in the construction of bioactive molecules with diverse applications in medicinal chemistry and drug discovery. Its strategic incorporation in synthetic pathways enables the efficient and controlled assembly of target molecules with desired biological activities and properties. By serving as a pivotal starting material, Methyl 3-hydroxyisoxazole-5-carboxylate facilitates the synthesis of structurally intricate compounds with tailored functionalities, highlighting its significance in the chemical synthesis process.