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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)-

Butanoic acid, 3,3-dimethyl-2-oxo-

O=C(C(C)(C)C)C(=O)O Request for Quotation
Chemical Name: Butanoic acid, 3,3-dimethyl-2-oxo-
CAS Number: 815-17-8
Product Number: AG0033HL(AGN-PC-0JKB0C)
Synonyms:
MDL No:
Molecular Formula: C6H10O3
Molecular Weight: 130.1418

Identification/Properties

Properties
MP:
90.5°C
BP:
182.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4270-1.4320
Computed Properties
Molecular Weight:
130.143g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
130.063g/mol
Monoisotopic Mass:
130.063g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
141
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


3,3-Dimethyl-2-oxobutanoic acid, also known as acetylacetone, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role in various reactions due to its unique structure and reactivity.In chemical synthesis, 3,3-Dimethyl-2-oxobutanoic acid is commonly employed as a ligand in coordination chemistry. It forms stable complexes with metal ions, such as copper, nickel, and cobalt, allowing for the selective coordination and activation of these metals in various catalytic processes.Additionally, 3,3-Dimethyl-2-oxobutanoic acid is a key building block in organic synthesis, particularly in the formation of β-diketones and related compounds. These compounds are essential intermediates in the synthesis of diverse organic molecules, including pharmaceuticals, agrochemicals, and fine chemicals.Furthermore, 3,3-Dimethyl-2-oxobutanoic acid is utilized as a chelating agent in the preparation of metal complexes and as a precursor for the synthesis of heterocyclic compounds. Its ability to coordinate with metal ions and stabilize their oxidation states makes it valuable in the development of novel materials and catalysts.Overall, the application of 3,3-Dimethyl-2-oxobutanoic acid in chemical synthesis exemplifies its significance as a versatile reagent with a broad spectrum of uses in the field of chemistry.