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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, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester

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Chemical Name: Butanoic acid, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester
CAS Number: 130611-26-6
Product Number: AG01BIXD(AGN-PC-0KKNBI)
Synonyms:
MDL No:
Molecular Formula: C9H16O5
Molecular Weight: 204.2203

Identification/Properties

Computed Properties
Molecular Weight:
204.222g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
9
Exact Mass:
204.1g/mol
Monoisotopic Mass:
204.1g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
178
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


The Butanoic acid, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester is a versatile compound widely used in chemical synthesis processes. Its main applications include:1. Esterification Reactions: As an ethyl ester, this compound is commonly utilized in esterification reactions to introduce the 4-(2-methoxyethoxy)-3-oxo- group into various organic molecules. Esterification reactions play a crucial role in the synthesis of many pharmaceuticals, fragrances, and flavor compounds.2. Carbonylation Reactions: The presence of the oxo (ketone) group in the molecule enables its participation in carbonylation reactions. These reactions are essential for incorporating the carbonyl functionality into organic molecules, leading to the formation of more complex structures.3. Building Block in Organic Synthesis: The Butanoic acid, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester serves as a valuable building block in organic synthesis, allowing chemists to construct a diverse range of compounds by manipulating its functional groups through various chemical transformations.4. Intermediate in Drug Development: Due to its versatile reactivity and structural features, this compound is frequently employed as an intermediate in the synthesis of pharmaceutical compounds. Its role in drug development lies in its ability to serve as a key precursor for the preparation of biologically active molecules.Overall, the Butanoic acid, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester plays a crucial role in chemical synthesis by acting as a key reagent in various reactions, making it an indispensable tool for chemists and researchers in the field.