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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)-

Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-

OB(c1cnc(nc1OC(C)(C)C)OC(C)(C)C)O Request for Quotation
Chemical Name: Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-
CAS Number: 109299-79-8
Product Number: AG003BL1(AGN-PC-0KK7GS)
Synonyms:
MDL No:
Molecular Formula: C12H21BN2O4
Molecular Weight: 268.1171

Identification/Properties

Properties
MP:
>300°C
BP:
431.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
268.12g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
268.159g/mol
Monoisotopic Mass:
268.159g/mol
Topological Polar Surface Area:
84.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
288
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid is a highly versatile compound commonly used in chemical synthesis. As a boronic acid derivative, it plays a crucial role in cross-coupling reactions, particularly Suzuki-Miyaura coupling, which is a widely used method for forming carbon-carbon bonds in organic synthesis. This compound acts as a Boron source in the reaction, enabling the formation of complex molecules by coupling with various organic substrates such as aryl halides or pseudohalides. The inclusion of the pyrimidine moiety in the structure enhances the reactivity and selectivity of the compound in these transformations, making it an essential tool for the construction of pharmaceuticals, agrochemicals, and materials with specific functionalities. Its unique properties make it a valuable building block for the synthesis of diverse molecular structures in the field of organic chemistry.