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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)-

4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine

CCc1c(Cl)nc(nc1Cl)S(=O)(=O)C Request for Quotation
Chemical Name: 4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine
CAS Number: 1263314-16-4
Product Number: AG000SMW(AGN-PC-0WAHEG)
Synonyms:
MDL No:
Molecular Formula: C7H8Cl2N2O2S
Molecular Weight: 255.1216

Identification/Properties

Computed Properties
Molecular Weight:
255.113g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
253.968g/mol
Monoisotopic Mass:
253.968g/mol
Topological Polar Surface Area:
68.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
279
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:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine is a versatile compound widely used in chemical synthesis for its unique reactivity and functional group compatibility. In organic chemistry, this compound serves as a valuable building block in the synthesis of various pharmaceuticals and agrochemicals. Its specific structure allows for selective manipulation of the chloro groups, the ethyl group, and the methylsulfonyl group to introduce desired functionalities and stereochemistry into the final product. This compound can participate in various coupling reactions, such as Suzuki coupling, Heck reaction, and Buchwald-Hartwig amination, facilitating the formation of complex molecular structures. Additionally, 4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine can act as a masked form of an amine, enabling controlled release of the amine functionality under specific conditions. Its application in chemical synthesis demonstrates its significance as a valuable tool for designing and producing novel compounds with diverse applications.