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103858-53-3

103858-53-3 Structure

103858-53-3 Structure
IdentificationMore
[Name]

Ethyl 6-bromoindole-2-carboxylate
[CAS]

103858-53-3
[Synonyms]

6-BROMO-2-CARBETHOXYINDOLE
6-BROMOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
ETHYL 6-BROMOINDOLE-2-CARBOXYLATE
SPECS AR-437/43285096
6-BROMO-2-INDOLECARBOXYLIC METHYL ESTER
6-6-BROMO-2-INDOLECARBOXYLIC
6-6-BROMO-2-INDOLECARBOXYLICMETHYLESTER
6-Br-ICA-OEt
ethyl 6-bromo-1H-indole-2-carboxylate
6-Bromoindole-2-carboxylic acid methyl ester
Ethyl 6-bromoindole-2-carboxylate ,97%
[Molecular Formula]

C11H10BrNO2
[MDL Number]

MFCD03094942
[Molecular Weight]

268.11
[MOL File]

103858-53-3.mol
Chemical PropertiesBack Directory
[Melting point ]

178-180 °C
[Boiling point ]

394.7±22.0 °C(Predicted)
[density ]

1.554±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Soluble in acetone.
[form ]

Crystalline Powder
[pka]

14.08±0.30(Predicted)
[color ]

White
[Detection Methods]

HPLC,NMR
[InChI]

InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
[InChIKey]

FVMZWWFKRMBNSZ-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(Br)=C2)C=C1C(OCC)=O
[CAS DataBase Reference]

103858-53-3(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

20/21/22
[Safety Statements ]

36/37
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Dichloromethane-->Sodium-->Acetone-->Hexane-->Ammonium chloride-->Xylene-->Sodium azide-->Ethyl chloroacetate-->4-Bromobenzaldehyde-->2,5-Di-tert-butylhydroquinone
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Synthesis]

In a 250mL three-necked flask, add 80mL of ethanol and 7.2g (40mmol) of 6-bromo-2-indolecarboxylic acid, slowly drop 1.0mL of concentrated sulfuric acid at room temperature and reflux for 30h (TLC tracking). After the reaction, concentrate to 30mL and pour into 60mL of water, extract twice with 20mL of ether, wash the ether layer once with 5% sodium carbonate solution, and then wash with water until neutral, dry with anhydrous magnesium sulfate, and evaporate the ether to obtain 7.7g of yellow to brown powder Ethyl 6-bromoindole-2-carboxylate, with a yield of 92.3%.
[References]

[1] Patent: KR101741956, 2017, B1. Location in patent: Paragraph 0685; 0690-0692
Questions And AnswerBack Directory
[Application]

Ethyl 6-bromo-2-indolecarboxylate can be used as an organic synthesis intermediate and a pharmaceutical intermediate, mainly in laboratory research and development and chemical production processes.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 6-bromoindole-2-carboxylate(103858-53-3)1HNMR
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