3-Aminocarbonylphenylboronic acid, pinacol ester

• CAS: 188665-74-9
• Catalog Number: ACM188665749
• Category: Boronic Esters
• Molecular Weight: 247.1
• Molecular Formula: C₁₃H₁₈BNO₃
• Synonyms: BM191, 3-Aminocarbonylphenylboronic acid pinacol ester, 188665-74-9
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N
• InChI Key: BPKIPHYWHVOWMS-UHFFFAOYSA-N
• Boiling Point: 384.6ºC at 760mmHg
• Melting Point: 192-194ºC
• Flash Point: 186.4ºC
• Density: 1.11g/cm³
• Appearance: white
• Exact Mass: 247.13800
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 3-Aminocarbonylphenylboronic acid, pinacol ester?

The molecular formula is C13H18BNO3.

What are the synonyms for 3-Aminocarbonylphenylboronic acid, pinacol ester?

The synonyms include 188665-74-9, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, and BENZAMIDE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL), among others.

What is the molecular weight of 3-Aminocarbonylphenylboronic acid, pinacol ester?

The molecular weight is 247.10 g/mol.

What is the IUPAC name of 3-Aminocarbonylphenylboronic acid, pinacol ester?

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

What is the InChI of 3-Aminocarbonylphenylboronic acid, pinacol ester?

The InChI is InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H2,15,16).

What is the InChIKey of 3-Aminocarbonylphenylboronic acid, pinacol ester?

The InChIKey is BPKIPHYWHVOWMS-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Aminocarbonylphenylboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N.

What is the CAS number of 3-Aminocarbonylphenylboronic acid, pinacol ester?

The CAS number is 188665-74-9.

Is 3-Aminocarbonylphenylboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 55-21-0
• 73183-34-3

• 188665-74-9
• 179117-44-3

Reference: [1] Journal of the American Chemical Society, 2017, vol. 139, # 23, p. 7745 - 7748

Upstream Synthesis Route 2

• 618-48-4
• 73183-34-3

• 188665-74-9

Reference: [1]Angewandte Chemie - International Edition,2007,vol. 46,p. 5359 - 5363

Downstream Synthesis Route 1

• 188665-74-9
• 787590-51-6

• 1011471-99-0

Reference: [1]Current Patent Assignee: THE UNIVERSITY OF TEXAS SYSTEM - WO2008/30795, 2008, A2 Location in patent: Page/Page column 19

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