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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-Pyrimidinecarboxylic acid, 1,4-dihydro-2-(methylthio)-4-oxo-, ethylester

CCOC(=O)c1cnc([nH]c1=O)SC Request for Quotation
Chemical Name: 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-(methylthio)-4-oxo-, ethylester
CAS Number: 53554-29-3
Product Number: AG003QAT(AGN-PC-0SFDQ2)
Synonyms:
MDL No: MFCD00023234
Molecular Formula: C8H10N2O3S
Molecular Weight: 214.2416

Identification/Properties

Properties
MP:
136-144°C
BP:
340.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
214.239g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
214.041g/mol
Monoisotopic Mass:
214.041g/mol
Topological Polar Surface Area:
93.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
323
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


Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate is a versatile compound that finds wide application in chemical synthesis. It serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and other fine chemicals. Due to its unique structure and functional groups, this compound can undergo various transformations, making it a valuable intermediate in organic synthesis.In chemical synthesis, Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate can be utilized as a precursor for the preparation of heterocyclic compounds through cyclocondensation reactions. Its reactivity allows for the introduction of different substituents at specific positions, enabling the synthesis of structurally diverse molecules with tailored properties.Furthermore, this compound can participate in multicomponent reactions to construct complex molecular frameworks efficiently. Its compatibility with a variety of functional groups makes it a valuable tool for synthetic chemists aiming to develop new compounds with potential applications in various fields.Overall, Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate plays a crucial role in facilitating the synthesis of novel compounds and the exploration of new chemical reactions, making it an indispensable component in the arsenal of organic chemists.