CAS 1218790-23-8: 1,1-Dimethylethyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

Description: 1,1-Dimethylethyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, with the CAS number 1218790-23-8, is a chemical compound characterized by its complex structure, which includes an indole moiety, a cyano group, and a boron-containing dioxaborolane. This compound is likely to exhibit properties typical of indole derivatives, such as potential biological activity, including anti-inflammatory or anticancer effects, due to the presence of the indole ring. The cyano group may contribute to its reactivity and ability to participate in nucleophilic addition reactions. The presence of the boron-containing dioxaborolane suggests potential applications in organic synthesis, particularly in cross-coupling reactions, as boron compounds are known for their utility in forming carbon-carbon bonds. Additionally, the tert-butyl group may enhance the compound's lipophilicity, influencing its solubility and bioavailability. Overall, this compound's unique structural features position it as a candidate for further research in medicinal chemistry and synthetic applications.

Formula: C₂₀H₂₅BN₂O₄

InChI: InChI=1S/C20H25BN2O4/c1-18(2,3)25-17(24)23-12-15(14-9-8-13(11-22)10-16(14)23)21-26-19(4,5)20(6,7)27-21/h8-10,12H,1-7H3

InChI key: InChIKey=YDIXOIZBVRXBQH-UHFFFAOYSA-N

SMILES: N#CC=1C=CC=2C(=CN(C(=O)OC(C)(C)C)C2C1)B3OC(C)(C)C(O3)(C)C

Synonyms:

• 1,1-Dimethylethyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
• 1H-Indole-1-carboxylic acid, 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

1H-Indole-1-carboxylic acid, 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

CAS: 1218790-23-8

• Formula: C₂₀H₂₅BN₂O₄
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 368.2345

1-BOC-6-cyanoindole-3-boronic acid, pinacol ester

CAS: 1218790-23-8

• Purity: 97%
• Molecular weight: 368.23g/mol

Tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

CAS: 1218790-23-8

• Purity: 95.0%
• Color and Shape: Liquid, No data available.
• Molecular weight: 368.239990234375

1-BOC-6-cyanoindole-3-boronic acid pinacol ester

CAS: 1218790-23-8

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• Formula: C₂₀H₂₅BN₂O₄
• Purity: Min. 95%
• Molecular weight: 368.24 g/mol