CAS 939045-17-7

1-(1,1-Dimethylethyl) 2-ethyl 6-bromo-1H-indole-1,2-dicarboxylate

Description:

1-(1,1-Dimethylethyl) 2-ethyl 6-bromo-1H-indole-1,2-dicarboxylate, with the CAS number 939045-17-7, is a synthetic organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features multiple functional groups, including a bromo substituent and two carboxylate ester groups, which contribute to its chemical reactivity and potential applications in various fields, such as pharmaceuticals or agrochemicals. The presence of the bulky tert-butyl group (1,1-dimethylethyl) and the ethyl group enhances its lipophilicity, which may influence its biological activity and solubility in organic solvents. The bromine atom introduces a halogen, which can participate in further chemical reactions, such as nucleophilic substitutions. Overall, this compound's unique structure and functional groups make it a subject of interest for research in medicinal chemistry and material science, although specific properties like melting point, boiling point, and solubility would require empirical measurement or literature reference for precise values.

Formula: C₁₆H₁₈BrNO₄

InChI: InChI=1S/C16H18BrNO4/c1-5-21-14(19)13-8-10-6-7-11(17)9-12(10)18(13)15(20)22-16(2,3)4/h6-9H,5H2,1-4H3

InChI key: InChIKey=QXTZSJPXLCWTGK-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C=C1C(OCC)=O)=CC=C(Br)C2

Synonyms:

• 1-(1,1-Dimethylethyl) 2-ethyl 6-bromo-1H-indole-1,2-dicarboxylate
• 1H-Indole-1,2-dicarboxylic acid, 6-bromo-, 1-(1,1-dimethylethyl) 2-ethyl ester

Ethyl 6-bromo-1H-indole-2-carboxylate, N-BOC protected

CAS: 939045-17-7

Ethyl 6-bromo-1H-indole-2-carboxylate, N-BOC protected

Purity: ≥95%

Molecular weight: 368.22g/mol

Ref: 54-OR16891

Ethyl 6-bromo-1H-indole-2-carboxylate, N-BOC protected

Controlled Product

CAS: 939045-17-7

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Formula: C₁₆H₁₈BrNO₄

Purity: Min. 95%

Molecular weight: 368.23 g/mol

Ref: 3D-PMB04517