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Home > Encyclopedia > 4-BroMo-2-hydroxylindan

4-BroMo-2-hydroxylindan

4-BroMo-2-hydroxylindan structure

4-BroMo-2-hydroxylindan 

structure
  • CAS No:

    125141-73-3

  • Formula:

    C9H9BrO

  • Chemical Name:

    4-BroMo-2-hydroxylindan

  • Synonyms:

    4-Bromo-2-hydroxylindan;125141-73-3;4-bromo-2,3-dihydro-1H-inden-2-ol;1H-Inden-2-ol, 4-bromo-2,3-dihydro-;4-bromo-2-indanol;SCHEMBL9455952;6113AJ;MFCD23381098;AKOS022186966;DS-8637

4-BroMo-2-hydroxylindan Basic Attributes

213.07116

211.98400

2906299090

Characteristics

20.2

2.3

1.617±0.06 g/cm3(Predicted)

311.9±42.0 °C(Predicted)

4-BroMo-2-hydroxylindan Use and Manufacturing

To a reaction vessel, was added (3-(N, N-bis(4-methoxybenzyl)sulfamoyl)-2-(l- (4-methoxybenzyl)-lH-tetrazol-5-yl)-4-(trifluoromethyl)phenyl) boronic acid(200 mg, 0.287 mmol), 4-bromo-2, 3-dihydro-lH-inden-2-ol (122 mg, 0.573 mmol), cesium carbonate (280 mg, 0.860 mmol) and 2nd generation xphos precatalyst (45.1 mg, 0.057 mmol). Dioxane (1.5 ml) and water (0.5 ml) were added to this flask. The reaction mixture was degased with bubbled under 2 for 10 min. This mixture was then heated at 66C for overnight. The mixture was cooled, diluted with satured NaHC03, and extracted with EtOAc. The organic phase was concentrated under reduced pressure. The residue was purified by column chromatography on silica gel, eluting with hexane/EtOAc to give the title compound.Step A: 3-(2-hydroxy-2, 3-dihydro-1H-inden-4-yl)-N, N-bis(4-methoxybenzyl)-2-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (1305) To a reaction vessel, was added (3-(N, N-bis(4-methoxybenzyl)sulfamoyl)-2-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl) boronic acid (200 mg, 0.287 mmol), PREPARATION 8 2-indanol 3.0 g of Stage B:

Computed Properties

Molecular Weight:213.07
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:211.98368
Monoisotopic Mass:211.98368
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:149
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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