3-Methyl-5-pinacolatoboryl-indazole

• CAS: 864771-17-5
• Catalog Number: ACM864771175
• Category: Boronic Acids
• Molecular Weight: 258.12
• Molecular Formula: C₁₄H₁₉BN₂O₂
• Synonyms: 3-METHYL-5-PINACOLATOBORYL-INDAZOLE;3-METHYL-5-PINALATOBORNYL-INDAZOLE;3-METHYL-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDAZOLE;3-Methyl-1H-indazole-5-bonic acid pinacol ester;3-Methylindazole-5-boronic acid pinacol ester

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H19BN2O2/c1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17).

What is the InChIKey of the compound?

The InChIKey of the compound is YTYTZKVFIGWLKK-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NN=C3C=C2)C.

What is the molecular weight of the compound?

The molecular weight of the compound is 258.13 g/mol.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There is 1 rotatable bond count in the compound.

What is the exact mass of the compound?

The exact mass of the compound is 258.1539580 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 552331-16-5
• 73183-34-3

• 864771-17-5

Reference: [1]Patent: US2007/173506,2007,A1 .Location in patent: Page/Page column 31; 32

Upstream Synthesis Route 2

• 45762-41-2

• 864771-17-5

Reference: [1]Patent: WO2012/119046,2012,A2

Downstream Synthesis Route 1

• 864771-17-5
• 130115-85-4

• 864771-15-3

Reference: [1]Patent: WO2005/85227,2005,A1 .Location in patent: Page/Page column 38; 81

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