Cas no 149108-62-3 ([5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid)

[5-Methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]boronic acid is a boronic acid derivative featuring an indole core substituted with a methoxy group at the 5-position and a 4-methylphenylsulfonyl moiety at the 1-position. This compound is of interest in organic synthesis and medicinal chemistry due to its utility as a versatile intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds. The electron-withdrawing sulfonyl group enhances stability, while the boronic acid functionality facilitates selective transformations. Its structural features make it valuable for constructing complex heterocyclic frameworks, particularly in pharmaceutical research targeting indole-based scaffolds. The compound exhibits moderate solubility in polar organic solvents, ensuring compatibility with diverse reaction conditions.
[5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid structure
149108-62-3 structure
Product Name:[5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid
CAS No:149108-62-3
MF:C16H16BNO5S
MW:345.177943229675
CID:2778527
PubChem ID:15209628
Update Time:2025-05-28

[5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid Chemical and Physical Properties

Names and Identifiers

    • [5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid
    • (5-Methoxy-1-tosyl-1H-indol-3-yl)boronic acid
    • Boronic acid, [5-Methoxy-1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl]-
    • [5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid
    • (5-methoxy-1-tosyl-1H-indol-3-yl)boronicacid
    • Boronic acid, (5-methoxy-1-((4-methylphenyl)sulfonyl)-1H-indol-3-yl)-
    • AKOS004116040
    • 5-METHOXY-1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOL-3-YLBORONIC ACID
    • [5-methoxy-1-(4-methylbenzenesulfonyl)-1H-indol-3-yl]boronic acid
    • DTXSID501157390
    • 149108-62-3
    • AB30033
    • Inchi： 1S/C16H16BNO5S/c1-11-3-6-13(7-4-11)24(21,22)18-10-15(17(19)20)14-9-12(23-2)5-8-16(14)18/h3-10,19-20H,1-2H3
    • InChI Key： HVTVYGVLSXIXDW-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)(N1C=C(B(O)O)C2C=C(C=CC1=2)OC)(=O)=O

Computed Properties

  • Exact Mass: 345.0842240Da
  • Monoisotopic Mass: 345.0842240Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 529
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 97.1?2

Experimental Properties

  • Density: 1.32±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.012 g/l) (25 o C),

[5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid Pricemore >>

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Chemenu
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PBEB11046-500mg
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PBEB11046-5g
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Ambeed
A847161-1g
(5-Methoxy-1-tosyl-1H-indol-3-yl)boronic acid
 149108-62-3 98%
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PBEB11046-100MG
[5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]oronic acid
 149108-62-3 95%
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 ￥ 1,201.00 2023-04-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBEB11046-250MG
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 149108-62-3 95%
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