| Identification | More | [Name]
2-(Ethoxycarbonyl)-5-bromo-indole | [CAS]
16732-70-0 | [Synonyms]
1H-INDOLE-2-CARBOXYLIC ACID, 5-BROMO-, ETHYL ESTER
2-(Ethoxycarbonyl)-5-bromo-indole
5-BROMO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
5-BROMO-2-CARBETHOXYINDOLE
5-BROMO-2-INDOLECARBOXYLIC ACID ETHYL ESTER
5-BROMOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
ETHYL 5-BROMO-1H-INDOLE-2-CARBOXYLATE
ETHYL 5-BROMOINDOLE-2-CARBOXYLATE
5-BROMO-2-INDOLECARBOXYLIC
5-Br-ICA-OEt | [EINECS(EC#)]
680-051-9 | [Molecular Formula]
C11H10BrNO2 | [MDL Number]
MFCD00022701 | [Molecular Weight]
268.11 | [MOL File]
16732-70-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
165 °C | [Boiling point ]
394.7±22.0 °C(Predicted) | [density ]
1.554±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
soluble in Acetone | [form ]
Solid | [pka]
14.05±0.30(Predicted) | [color ]
White to Orange to Green | [InChI]
InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3 | [InChIKey]
LWRLKENDQISGEU-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C(Br)C=C2)C=C1C(OCC)=O | [CAS DataBase Reference]
16732-70-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933998090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
Ethyl 5-Bromoindole-2-carboxylate(16732-70-0) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
| [Hazard]
Ethyl 5-Bromoindole-2-carboxylate causes skin irritation and serious eye irritation.
| [Chemical Properties]
Ethyl 5-Bromoindole-2-carboxylate is stable under normal conditions, it reacts with oxidizing agents.
| [Synthesis]
The preparation of Ethyl 5-Bromoindole-2-carboxylate was as follows: A 25 mL Schlenk reaction tube was used, and 69 mg of p-bromoaniline, 9 mg of palladium acetate, and 80 mg of molecular sieve were added. Then, 93 mg of ethyl 2-oxopropionate, 96 mg of acetic acid, and 2 mL of dimethyl sulfoxide were injected. A 200 mL oxygen bulb was attached, and the mixture was stirred at 70 °C for 18 hours using a chemical book. After the reaction was complete, 15 mL of ethyl acetate was added to dilute the reaction solution. The mixture was filtered, washed twice with 10 mL of brine, and the organic phase was separated. The aqueous phase was extracted once with ethyl acetate. The organic phases were combined, and column chromatography was used to separate the target product, yielding 50 mg of pure ethyl 5-bromoindole-2-carboxylate (47% yield). |
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