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CAS 942070-96-4

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Methyl (αS)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenepropanoate

Description:
Methyl (αS)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenepropanoate, with CAS number 942070-96-4, is a synthetic organic compound characterized by its complex structure, which includes a thiophene ring, a boron-containing moiety, and an amino acid derivative. This compound features a methyl ester functional group, which enhances its solubility in organic solvents. The presence of the dioxaborolane group suggests potential applications in medicinal chemistry, particularly in drug design and development, as boron-containing compounds often exhibit unique reactivity and biological activity. The stereochemistry indicated by the αS configuration implies specific spatial arrangements that can influence the compound's interactions with biological targets. Additionally, the dimethylethoxycarbonyl group serves as a protective group, which can be useful in synthetic pathways. Overall, this compound exemplifies the intricate design often found in pharmaceutical chemistry, where structural features are tailored for specific biological functions.
Formula:C19H30BNO6S
InChI:InChI=1S/C19H30BNO6S/c1-17(2,3)25-16(23)21-13(15(22)24-8)11-12-9-10-14(28-12)20-26-18(4,5)19(6,7)27-20/h9-10,13H,11H2,1-8H3,(H,21,23)/t13-/m0/s1
InChI key:InChIKey=JMGAINMKSPDQFI-ZDUSSCGKSA-N
SMILES:C([C@H](NC(OC(C)(C)C)=O)C(OC)=O)C=1SC(=CC1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Methyl (αS)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenepropanoate
  • 2-Thiophenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, (αS)-
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