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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)-

3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester

COC(=O)C1CSCC1=O Request for Quotation
Chemical Name: 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester
CAS Number: 2689-68-1
Product Number: AG0035UH(AGN-PC-0JM30I)
Synonyms:
MDL No:
Molecular Formula: C6H8O3S
Molecular Weight: 160.1909

Identification/Properties

Properties
BP:
248.4 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
160.187g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
160.019g/mol
Monoisotopic Mass:
160.019g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
166
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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


Methyl 4-oxotetrahydrothiophene-3-carboxylate is a versatile compound that finds wide application in chemical synthesis. It serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. With its unique structure and reactivity, this compound plays a crucial role in the synthesis of heterocyclic compounds and natural products. Its presence in the synthesis pathway can lead to the formation of complex molecules with significant biological activities. When used in conjunction with other reagents and catalysts, methyl 4-oxotetrahydrothiophene-3-carboxylate enables chemists to access new molecular scaffolds and design novel compounds with specific functions. This compound's utility extends to the creation of drug candidates, material science research, and the development of innovative chemical processes.