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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)-

methyl 2,4-dioxo-4-thiophen-2-ylbutanoate

COC(=O)C(=O)CC(=O)c1cccs1 Request for Quotation
Chemical Name: methyl 2,4-dioxo-4-thiophen-2-ylbutanoate
CAS Number: 57409-51-5
Product Number: AG003RLU(AGN-PC-0KKUB8)
Synonyms:
MDL No:
Molecular Formula: C9H8O4S
Molecular Weight: 212.2224

Identification/Properties

Properties
MP:
87.0 to 91.0 °C
BP:
366.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
212.219g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
212.014g/mol
Monoisotopic Mass:
212.014g/mol
Topological Polar Surface Area:
88.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
262
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate is a versatile compound used in chemical synthesis for the preparation of various organic molecules. This compound serves as a key building block in the creation of diverse chemical structures due to its unique reactivity and functional groups. In organic synthesis, it can participate in reactions such as esterifications, nucleophilic additions, and transformations involving the thiophene moiety. The presence of the ester and keto groups in its structure allows for manipulation and incorporation into more complex molecules, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Additionally, the thiophene ring confers specific electronic properties that can be exploited in the development of advanced materials and bioactive compounds.