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Home > Encyclopedia > 5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER structure

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER 

structure
  • CAS No:

    773873-77-1

  • Formula:

    C10H8BrNO2

  • Chemical Name:

    5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

  • Synonyms:

    1H-Indole-3-carboxylicacid,5-broMo-,Methylester;Methyl 5-BroMoindole-3-carboxylate;5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER;METHYL 5-BROMO-1H-INDOLE-3-CARBOXYLATE;RARECHEM AL BF 0374

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER Basic Attributes

254.08

252.973831

DTXSID00301206

Characteristics

42.1

3.3

1.6±0.1 g/cm3

386.2°C at 760 mmHg

187.3±22.3 °C

1.666

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER Use and Manufacturing

General procedure: To a solution of compounds 21(b-c) (1 equiv) in MeOH, a solution of KOH in water was added. The reaction mixture was refluxed for 3 h. The solvents were removed under reduced pressure, the residue was partitioned between EtOAc and 1 N aq. HCl and the layers were separated. The aqueous layer was washed with EtOAc (3×) and the combined organic phases were washed with brine (1×), dried over anhydrous Na2SO4, filtered and concentrated to near dryness. The crude residue was purified by silica gel flash column chromatography eluted with mixtures of MeOH in dichloromethane to afford the corresponding methyl esters 22(b-c).General procedure: 4 g of 5-substituted indole- 3- carboxylic acids was dissolved in 10 volumes(400 mL) of methanol and catalytic amount of conc.H

Computed Properties

Molecular Weight:254.08
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.97384
Monoisotopic Mass:252.97384
Topological Polar Surface Area:42.1
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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