Indazole-4-boronic acid pinacol ester

• CAS: 885618-33-7
• Catalog Number: ACM885618337
• Category: Boronic Esters
• Molecular Weight: 244.10
• Molecular Formula: C₁₃H₁₇BN₂O₂
• Synonyms: 885618-33-7, 4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDAZOLE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLE, AG-H-57744, 1H-indazole-4-boronic acid pinacol ester, 1H-Indazol-4-ylboronic acid pinacol ester, INDAZOLE-4-BORONIC ACID PINACOL ESTER, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole, PubChem22325, SureCN189955, KSC498E8L, CTK3J8285, ANW-41824, QC-810, WTI-11226, AKOS005255617, AM90148, BCP9000141, Indazole-4-boronic acid pinacol ester,, PB30991
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=CC=C2
• InChI Key: YRPXZCWDXBNPBD-UHFFFAOYSA-N
• Boiling Point: 404.123ºC at 760 mmHg
• Density: 1.154 g/cm³
• Exact Mass: 244.13800
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the IUPAC Name of Indazole-4-boronic acid pinacol ester?

The IUPAC name of Indazole-4-boronic acid pinacol ester is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

What is the molecular formula of Indazole-4-boronic acid pinacol ester?

The molecular formula of Indazole-4-boronic acid pinacol ester is C13H17BN2O2.

What is the molecular weight of Indazole-4-boronic acid pinacol ester?

The molecular weight of Indazole-4-boronic acid pinacol ester is 244.10 g/mol.

What is the InChI of Indazole-4-boronic acid pinacol ester?

The InChI of Indazole-4-boronic acid pinacol ester is InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11/h5-8H,1-4H3,(H,15,16).

What is the InChIKey of Indazole-4-boronic acid pinacol ester?

The InChIKey of Indazole-4-boronic acid pinacol ester is YRPXZCWDXBNPBD-UHFFFAOYSA-N.

What is the canonical SMILES of Indazole-4-boronic acid pinacol ester?

The canonical SMILES of Indazole-4-boronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=CC=C2.

What is the CAS number of Indazole-4-boronic acid pinacol ester?

The CAS number of Indazole-4-boronic acid pinacol ester is 885618-33-7.

What is the European Community (EC) Number of Indazole-4-boronic acid pinacol ester?

The European Community (EC) Number of Indazole-4-boronic acid pinacol ester is 813-280-1.

What is the DSSTox Substance ID of Indazole-4-boronic acid pinacol ester?

The DSSTox Substance ID of Indazole-4-boronic acid pinacol ester is DTXSID60670228.

Is Indazole-4-boronic acid pinacol ester a canonicalized compound?

Yes, Indazole-4-boronic acid pinacol ester is a canonicalized compound, according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3
• 186407-74-9

• 885618-33-7

Reference: [1] Patent: WO2007/42806, 2007, A1, . Location in patent: Page/Page column 34-35

Upstream Synthesis Route 2

• 73183-34-3
• 186407-74-9

• 271-44-3
• 885618-33-7

Reference: [1] Patent: US2008/76768, 2008, A1, . Location in patent: Page/Page column 8-9

Upstream Synthesis Route 3

• 41748-71-4
• 73183-34-3

• 885618-33-7

Reference: [1] Patent: WO2009/146406, 2009, A1, . Location in patent: Page/Page column 65