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CAS 1218789-62-8

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Methyl 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Methyl 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety, a cyclopropylmethoxy group, and a dioxaborolane substituent. The presence of the dioxaborolane group suggests potential applications in boron chemistry, particularly in the context of organic synthesis and medicinal chemistry, where boron-containing compounds are often utilized for their unique reactivity and ability to form stable complexes. The cyclopropyl group may impart distinctive steric and electronic properties, influencing the compound's reactivity and interactions. This compound is likely to be a solid or liquid at room temperature, with solubility in organic solvents, and may exhibit specific spectral characteristics in NMR and IR spectroscopy due to its functional groups. Its synthesis and reactivity would be of interest in the development of new materials or pharmaceuticals, particularly in the context of drug design where boron compounds have shown promise. Safety and handling precautions should be observed, as with all chemical substances.
Formula:C18H25BO5
InChI:InChI=1S/C18H25BO5/c1-17(2)18(3,4)24-19(23-17)14-8-13(16(20)21-5)9-15(10-14)22-11-12-6-7-12/h8-10,12H,6-7,11H2,1-5H3
InChI key:InChIKey=JTVONZUKAQNKSL-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=CC(OCC3CC3)=C2
Synonyms:
  • Benzoic acid, 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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