N-pentylboronic acid

• CAS: 4737-50-2
• Catalog Number: ACM4737502
• Category: Boronic Acids
• Molecular Weight: 115.97
• Molecular Formula: C₅H₁₃BO₂
• Synonyms: 1-PENTYLBORONIC ACID;RARECHEM AH PB 0247;PENTYLBORONIC ACID;PENTYLDIHYDROXYBORANE;N-PENTYLBORONIC ACID;N-Pentaneboronic acid;N-Pentylboronic
• IUPAC Name: pentylboronic acid
• Canonical SMILES: B(CCCCC)(O)O
• InChI Key: ABWPXVJNCQKYDR-UHFFFAOYSA-N
• Boiling Point: 207.9ºC at 760mmHg
• Flash Point: 79.5ºC
• Density: 0.905g/cm³
• Exact Mass: 116.10100
• H-Bond Acceptor: 2
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of N-pentylboronic acid?

The molecular formula of N-pentylboronic acid is C5H13BO2.

What is the molecular weight of N-pentylboronic acid?

The molecular weight of N-pentylboronic acid is 115.97 g/mol.

What is the IUPAC name of N-pentylboronic acid?

The IUPAC name of N-pentylboronic acid is pentylboronic acid.

What is the InChI key of N-pentylboronic acid?

The InChI key of N-pentylboronic acid is ABWPXVJNCQKYDR-UHFFFAOYSA-N.

What is the CAS number of N-pentylboronic acid?

The CAS number of N-pentylboronic acid is 4737-50-2.

How many hydrogen bond donor counts does N-pentylboronic acid have?

N-pentylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does N-pentylboronic acid have?

N-pentylboronic acid has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does N-pentylboronic acid have?

N-pentylboronic acid has 4 rotatable bond counts.

What is the topological polar surface area of N-pentylboronic acid?

The topological polar surface area of N-pentylboronic acid is 40.5Ų.

How many heavy atom counts does N-pentylboronic acid have?

N-pentylboronic acid has 8 heavy atom counts.

Synthetic Use

Upstream Synthesis Route 1

• 121-43-7
• 693-25-4

• 4737-50-2

Reference: [1] Journal of the American Chemical Society, 1938, vol. 60, p. 352
[2] Journal of the American Chemical Society, 1938, vol. 60, p. 110

Upstream Synthesis Route 2

• 693-25-4

• 4737-50-2

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 21, p. 3199 - 3202

Upstream Synthesis Route 3

• 68498-84-0
• 693-25-4

• 4737-50-2

Reference: [1] Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1961, vol. 253, p. 1812 - 1814

Upstream Synthesis Route 4

• 121-43-7
• 693-25-4

• 4737-50-2

Reference: [1]Journal of the American Chemical Society,1938,vol. 60,p. 352

Downstream Synthesis Route 1

• 4737-50-2

• 372-79-2

Reference: [1]Journal of the American Chemical Society,1955,vol. 77,p. 4253

Downstream Synthesis Route 2

• 4737-50-2

• 7325-09-9

Reference: [1]Journal of the American Chemical Society,1957,vol. 79,p. 5179

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