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Home > Encyclopedia > 1-(PHENYLSULFONYL)-2-INDOLEBORONICACID

1-(PHENYLSULFONYL)-2-INDOLEBORONICACID

1-(PHENYLSULFONYL)-2-INDOLEBORONICACID structure

1-(PHENYLSULFONYL)-2-INDOLEBORONICACID 

structure
  • CAS No:

    342404-46-0

  • Formula:

    C14H12BNO4S

  • Chemical Name:

    1-(PHENYLSULFONYL)-2-INDOLEBORONICACID

  • Synonyms:

    benzenesulfonyl(1-indolyloxy)borinic acid;1-(Phenylsulfonyl)-1H-indole-2-boronic acid;1-(PHENYLSULFONYL)-2-INDOLEBORONIC ACID;1-(PHENYLSULFONYL)-1H-INDOL-2-YLBORONIC ACID;1-PHENYLSULFONYLINDOLE-2-BORONIC ACID;1-PHENYLSULPHONYLINDOLE-2-BORONIC ACID;AKOS BRN-1007;1-(Phenylsulphonyl)-1H-indol-2-ylboronic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-(PHENYLSULFONYL)-2-INDOLEBORONICACID Basic Attributes

301.13

301.0580092

DTXSID60379906

2933990090

Characteristics

87.91000

1.63890

1.34g/cm3

125-130 °C(lit.)

581.4ºC at 760mmHg

305.4ºC

1.632

Safety Information

3

36/37/38

26-36

Xi

1-(PHENYLSULFONYL)-2-INDOLEBORONICACID Use and Manufacturing

Reactant for:• ;Synthesis of bioactive indolo[3,2-j]phenanthridine alkaloid, calothrixin B, via an allene-mediated electrocyclic reaction1• ;Preparation of arenes via palladium and tris(tert-butyl)phosphine-catalyzed Suzuki cross-coupling2• ;Structure-guided development of TbcatB inhibitors as trypanocides3• ;Chemoselective and stereoselective oxidative palladium/diamine-catalyzed cross-coupling reactions4• ;Petasis boronic Mannich reactions under microwave conditions5

Computed Properties

Molecular Weight:301.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:301.0580092
Monoisotopic Mass:301.0580092
Topological Polar Surface Area:87.9
Heavy Atom Count:21
Complexity:458
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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