CAS 1305320-64-2

1,1-Dimethylethyl 3-bromo-4-methyl-1H-indole-1-carboxylate

Description:

1,1-Dimethylethyl 3-bromo-4-methyl-1H-indole-1-carboxylate, identified by its CAS number 1305320-64-2, is a chemical compound that features a complex structure typical of indole derivatives. This substance contains an indole ring, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring, contributing to its aromatic properties. The presence of a carboxylate group indicates that it is an ester, which can influence its reactivity and solubility in various solvents. The bromine atom at the 3-position and the methyl group at the 4-position of the indole ring suggest that it may exhibit unique electronic and steric properties, potentially affecting its biological activity. The tert-butyl group (1,1-dimethylethyl) enhances the lipophilicity of the molecule, which may influence its interaction with biological membranes. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.

Formula: C₁₄H₁₆BrNO₂

InChI: InChI=1S/C14H16BrNO2/c1-9-6-5-7-11-12(9)10(15)8-16(11)13(17)18-14(2,3)4/h5-8H,1-4H3

InChI key: InChIKey=QWVXXRZFCVHOPO-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C(Br)=C1)=C(C)C=CC2

Synonyms:

• 1H-Indole-1-carboxylic acid, 3-bromo-4-methyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-bromo-4-methyl-1H-indole-1-carboxylate

N-Boc-3-bromo-4-methylindole

CAS: 1305320-64-2

Formula: C₁₄H₁₆BrNO₂

Molecular weight: 310.1863

Ref: IN-DA000UL3

tert-Butyl 3-bromo-4-methyl-1H-indole-1-carboxylate

CAS: 1305320-64-2

Formula: C₁₄H₁₆BrNO₂

Purity: 95.0%

Molecular weight: 310.191

Ref: 10-F446998