3-(Piperidine-1-carbonyl)phenylboronic acid

• CAS: 850568-34-2
• Catalog Number: ACM850568342
• Category: Boronic Acids
• Molecular Weight: 233.07
• Molecular Formula: C₁₂H₁₆BNO₃
• Synonyms: 3-(Piperidine-1-carbonyl)phenylboronic acid, 850568-34-2, N-Piperidinyl 3-boronobenzamide, 3-(Piperidine-1-carbonyl)benzeneboronic acid, ACMC-209q1u, SureCN1490523, CTK5F3961, MolPort-001-767-591, ANW-38032, OR3998, 1-(3-BORONOBENZOYL)PIPERIDINE, AKOS015854075, AB20397, AG-H-41270, AK-45873, KB-27736, (3-piperidin-1-ylcarbonylphenyl)boronic acid, X1478, 3-(Piperidine-1-carbonyl)phenylboronic acid,, B-5164
• IUPAC Name: [3-(piperidine-1-carbonyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)N2CCCCC2)(O)O
• InChI Key: XFTARKGZGNWJJT-UHFFFAOYSA-N
• Boiling Point: 469.8ºC at 760 mmHg
• Melting Point: 150-154ºC
• Flash Point: 237.9ºC
• Density: 1.22g/cm³
• Exact Mass: 233.12200
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Safety Description: 26-36/37/39

Custom Q&A

What is the PubChem CID for 3-(Piperidine-1-carbonyl)phenylboronic acid?

The PubChem CID for 3-(Piperidine-1-carbonyl)phenylboronic acid is 24901767.

What is the molecular formula of 3-(Piperidine-1-carbonyl)phenylboronic acid?

The molecular formula of 3-(Piperidine-1-carbonyl)phenylboronic acid is C12H16BNO3.

What are the synonyms for 3-(Piperidine-1-carbonyl)phenylboronic acid?

The synonyms for 3-(Piperidine-1-carbonyl)phenylboronic acid include 850568-34-2 and [3-(piperidine-1-carbonyl)phenyl]boronic acid.

What is the molecular weight of 3-(Piperidine-1-carbonyl)phenylboronic acid?

The molecular weight of 3-(Piperidine-1-carbonyl)phenylboronic acid is 233.07 g/mol.

When was 3-(Piperidine-1-carbonyl)phenylboronic acid created?

3-(Piperidine-1-carbonyl)phenylboronic acid was created on September 25, 2008.

What is the IUPAC name of 3-(Piperidine-1-carbonyl)phenylboronic acid?

The IUPAC name of 3-(Piperidine-1-carbonyl)phenylboronic acid is [3-(piperidine-1-carbonyl)phenyl]boronic acid.

What is the InChI of 3-(Piperidine-1-carbonyl)phenylboronic acid?

The InChI of 3-(Piperidine-1-carbonyl)phenylboronic acid is InChI=1S/C12H16BNO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h4-6,9,16-17H,1-3,7-8H2.

What is the InChIKey of 3-(Piperidine-1-carbonyl)phenylboronic acid?

The InChIKey of 3-(Piperidine-1-carbonyl)phenylboronic acid is XFTARKGZGNWJJT-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Piperidine-1-carbonyl)phenylboronic acid?

The canonical SMILES of 3-(Piperidine-1-carbonyl)phenylboronic acid is B(C1=CC(=CC=C1)C(=O)N2CCCCC2)(O)O.

Does 3-(Piperidine-1-carbonyl)phenylboronic acid have a defined bond stereocenter count?

No, 3-(Piperidine-1-carbonyl)phenylboronic acid does not have a defined bond stereocenter count.

Synthetic Use

Downstream Synthesis Route 1

• 850568-34-2
• 1003878-39-4

• 1003874-61-0

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US2008/21023, 2008, A1
Location in patent: Page/Page column 89; 99

Downstream Synthesis Route 2

• 850568-34-2
• 126811-31-2

• 1312544-37-8

Reference: [1]Location in patent: experimental part
Rathikrishnan, Krishnaswamy R.; Indirapriyadharshini, Vellore K.; Ramakrishna, Seeram; Murugan, Rajendiran
[Tetrahedron, 2011, vol. 67, # 22, p. 4025 - 4030]

Downstream Synthesis Route 3

• 850568-34-2
• 1402612-57-0

• 1472640-86-0

Reference: [1]Hsu, Ku-Lung; Tsuboi, Katsunori; Chang, Jae Won; Whitby, Landon R.; Speers, Anna E.; Pugh, Holly; Cravatt, Benjamin F.
[Journal of Medicinal Chemistry, 2013, vol. 56, # 21, p. 8270 - 8279]

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