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CAS 306935-93-3

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

Description:
Boronic acid, specifically 2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl- (CAS 306935-93-3), is an organoboron compound characterized by the presence of a boronic acid functional group attached to a pyrimidine ring. This compound typically exhibits properties such as being a white to off-white solid, soluble in polar solvents like water and alcohols, and possessing a moderate melting point. The boronic acid moiety allows for the formation of reversible covalent bonds with diols, making it useful in various applications, including organic synthesis and medicinal chemistry. Its structure, featuring bulky dimethylethoxy groups, enhances its stability and solubility, while the pyrimidine ring contributes to its potential biological activity. Boronic acids are known for their role in drug discovery, particularly in the development of proteasome inhibitors and other therapeutic agents. Additionally, this compound may exhibit unique reactivity patterns due to the presence of the boron atom, which can participate in various chemical transformations. Overall, its distinctive structural features and functional properties make it a valuable compound in both research and industrial applications.
Formula:C12H21BN2O4
InChI:InChI=1S/C12H21BN2O4.H2O/c1-11(2,3)18-9-8(13(16)17)7-14-10(15-9)19-12(4,5)6;/h7,16-17H,1-6H3;1H2
InChI key:InChIKey=WNNMPLYQLSDLPS-UHFFFAOYSA-N
SMILES:O(C(C)(C)C)C=1C(B(O)O)=CN=C(OC(C)(C)C)N1.O
Synonyms:
  • 2,4-Di-tert-butoxypyrimidine-5-boronic acid
  • 2,4-Ditert-butoxypyrimidin-5-ylboronic acid
  • Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, monohydrate
  • 2,4-DI(TERT-BUTOXY)PYRIMIDINE-5-BORONIC ACID HYDRATE
  • 2,4-DI(TERT-BUTOXY)PYRIMIDIN-5-YLBORONIC ACID HYDRATE
  • 2,6-DI-TERT-BUTOXYPYRIMIDINE-5-BORONIC ACID HYDRATE
  • 2,4-DI-TERT-BUTOXYPYRIMIDINE BORONIC ACID
  • 2,4-di-butyloxypyrimidine-5-boric acid
  • Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, monohydrate (9CI)
  • 2,4-DI(TERT-BUTOXY)PYRIMIDINE-5-YLBORONIC ACID HYDRATE
  • See more synonyms
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