ethyl 5-bromo-3-formyl-1H-indole-2-carboxylate
CAS No.:
100123-25-9
M. Wt:
296.117
M. Fa:
C12H10BrNO3
InChI Key:
VPJYMMSHBAEVOX-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 100123-25-9
CAS Number |
100123-25-9 |
|---|---|
IUPAC Name |
ethyl 5-bromo-3-formyl-1H-indole-2-carboxylate |
InChI |
InChI=1S/C12H10BrNO3/c1-2-17-12(16)11-9(6-15)8-5-7(13)3-4-10(8)14-11/h3-6,14H,2H2,1H3 |
InChIKey |
VPJYMMSHBAEVOX-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)C=O |
Physical and chemical properties of 100123-25-9
Acidity coefficient |
12.56±0.30(Predicted) |
|---|---|
Boiling Point |
476.7±45.0 °C at 760 mmHg |
Density |
1.6±0.1 g/cm3 |
Exact Mass |
294.984406 |
Flash Point |
242.1±28.7 °C |
H Bond Acceptors |
2 |
H Bond Donors |
1 |
Index of Refraction |
1.677 |
LogP |
2.95 |
Melting Point |
245 °C(Solv: ethanol (64-17-5)) |
Molecular Formula |
C12H10BrNO3 |
Molecular Weight |
296.117 |
PSA |
59.16000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2-8°C |
Vapour Pressure |
0.0±1.2 mmHg at 25°C |
Safety Information of 100123-25-9
Applications of 100123-25-9
Ethyl 5-bromo-3-formyl-1H-indole-2-carboxylate has several potential applications:
- Pharmaceutical Development: It serves as a precursor for synthesizing new drugs targeting viral infections and cancer.
- Chemical Research: It is used as a building block in organic synthesis to explore new chemical entities with desired biological properties.
Interaction Studies of 100123-25-9
Research involving ethyl 5-bromo-3-formyl-1H-indole-2-carboxylate often focuses on its interactions with biological targets:
- Enzyme Inhibition Studies: Investigations into how this compound might inhibit specific enzymes related to viral replication or cancer cell proliferation.
- Binding Affinity Assessments: Studies measuring how well this compound binds to target proteins or receptors involved in disease pathways.
These studies are crucial for understanding the compound's mechanism of action and therapeutic potential.
Physical sample testing spectrum (NMR) of 100123-25-9
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