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CAS 779331-29-2

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1,1-Dimethylethyl (2S)-2-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate

Description:
1,1-Dimethylethyl (2S)-2-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate, with CAS number 779331-29-2, is a chemical compound characterized by its complex structure, which includes a chiral center and a boron-containing moiety. This compound features a propanoate functional group, which is esterified with a phenoxy group that contains a chlorine substituent. The presence of the tetramethyl-1,3,2-dioxaborolane unit suggests potential applications in organic synthesis and medicinal chemistry, particularly in the context of boron chemistry, where boron compounds are often utilized for their unique reactivity and ability to form stable complexes. The chirality of the compound may influence its biological activity, making it of interest in pharmaceutical research. Additionally, the presence of bulky groups, such as the 1,1-dimethylethyl group, can affect the compound's solubility and stability, which are critical factors in its potential applications. Overall, this compound exemplifies the intricate design often found in modern synthetic chemistry.
Formula:C19H28BClO5
InChI:InChI=1S/C19H28BClO5/c1-12(16(22)24-17(2,3)4)23-15-10-9-13(21)11-14(15)20-25-18(5,6)19(7,8)26-20/h9-12H,1-8H3/t12-/m0/s1
InChI key:InChIKey=AKUMWYLEGWWYJP-LBPRGKRZSA-N
SMILES:O([C@H](C(OC(C)(C)C)=O)C)C1=C(C=C(Cl)C=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 1,1-Dimethylethyl (2S)-2-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate
  • Propanoic acid, 2-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, 1,1-dimethylethyl ester, (2S)-
  • (S)-2-[4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoic acid 1,1-dimethylethyl ester
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