CAS 1259022-53-1

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate

Description:

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate is an organic compound characterized by its complex structure, which includes a chlorinated aromatic ring and a boron-containing moiety. The presence of the chloro group suggests potential reactivity in nucleophilic substitution reactions, while the dioxaborolane unit may facilitate various coupling reactions, particularly in the context of organoboron chemistry. This compound is likely to exhibit moderate polarity due to the ester functional group and the presence of the boron atom, which can influence its solubility in organic solvents. Additionally, the tetramethyl substitution on the dioxaborolane enhances steric hindrance, potentially affecting its reactivity and interactions with other molecules. The compound may find applications in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, where the unique properties of boron compounds are leveraged. Safety and handling precautions should be observed, as with any chemical substance, due to potential hazards associated with chlorinated compounds and boron derivatives.

Formula: C₁₅H₂₀BClO₄

InChI: InChI=1S/C15H20BClO4/c1-14(2)15(3,4)21-16(20-14)11-7-6-10(8-12(11)17)9-13(18)19-5/h6-8H,9H2,1-5H3

InChI key: InChIKey=IDRXUYQTIBOVRI-UHFFFAOYSA-N

SMILES: ClC1=C(B2OC(C)(C)C(C)(C)O2)C=CC(CC(OC)=O)=C1

Synonyms:

• Benzeneacetic acid, 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
• Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate

Methyl 2-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

CAS: 1259022-53-1

Versatile small molecule scaffold

Formula: C₁₅H₂₀BClO₄

Purity: Min. 95%

Molecular weight: 310.6 g/mol

Ref: 3D-JAC02253