Indole-3-boronic acid pinacol ester

• CAS: 937366-54-6
• Catalog Number: ACM937366546
• Category: Boronic Esters
• Molecular Weight: 243.109220 [g/mol]
• Molecular Formula: C₁₄H₁₈BNO₂
• Synonyms: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 937366-54-6, Indole-3-boronic acid pinacol ester, SureCN2111365, CTK5H2887, MolPort-008-541-517, ANW-71653, AKOS015950042, AG-H-82928, MB08127, QC-9759, AK-77125, KB-233022, 3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-INDOLE
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CNC3=CC=CC=C23
• InChI Key: WQPRSRMWYVTUTE-UHFFFAOYSA-N
• Exact Mass: 243.14300
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the PubChem CID of Indole-3-boronic acid pinacol ester?

PubChem CID 53398056.

What is the molecular formula of Indole-3-boronic acid pinacol ester?

The molecular formula is C14H18BNO2.

What are the synonyms of Indole-3-boronic acid pinacol ester?

The synonyms include 937366-54-6, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, Indole-3-boronic acid pinacol ester, 3-Indoleboronic Acid Pinacol Ester, and MFCD09879158.

What is the molecular weight of Indole-3-boronic acid pinacol ester?

The molecular weight is 243.11 g/mol.

When was Indole-3-boronic acid pinacol ester created?

It was created on October 30, 2011.

When was Indole-3-boronic acid pinacol ester last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of Indole-3-boronic acid pinacol ester?

The IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

What is the InChI of Indole-3-boronic acid pinacol ester?

The InChI is InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-9-16-12-8-6-5-7-10(11)12/h5-9,16H,1-4H3.

What is the InChIKey of Indole-3-boronic acid pinacol ester?

The InChIKey is WQPRSRMWYVTUTE-UHFFFAOYSA-N.

What is the Canonical SMILES of Indole-3-boronic acid pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CNC3=CC=CC=C23.

Synthetic Use

Upstream Synthesis Route 1

• 476004-82-7

• 937366-54-6

Reference: [1]Takagi, Jun; Sato, Kazuaki; Hartwig, John F; Ishiyama, Tatsuo; Miyaura, Norio
[Tetrahedron Letters, 2002, vol. 43, # 32, p. 5649 - 5651]

Downstream Synthesis Route 1

• 5750-76-5
• 937366-54-6

• 937366-57-9

Reference: [1]Huang, Shenlin; Li, Ronghua; Connolly, Peter J.; Emanuel, Stuart; Fuentes-Pesquera, Angel; Adams, Mary; Gruninger, Robert H.; Seraj, Jabed; Middleton, Steven A.; Davis, Jeremy M.; Moffat, David F.C.
[Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 8, p. 2179 - 2183]

* For details of the synthesis route, please refer to the original source to ensure accuracy.