Isobutaneboronic acid

• CAS: 84110-40-7
• Catalog Number: ACM84110407
• Category: Boronic Acids
• Molecular Weight: 101.94g/mol
• Molecular Formula: C4H11BO2
• Synonyms: RARECHEM AH PB 0258;2-METHYL-1-PROPYLBORONIC ACID;2-METHYL-1-PROPANEBORONIC ACID;(2-METHYLPROPYL)BORONIC ACID;1-ISOBUTANEBORONIC ACID;ISOBUTYLBORONIC ACID;2-Methylprop-1-ylboronic acid;Isobutylboronic
• IUPAC Name: 2-methylpropylboronic acid
• Canonical SMILES: B(CC(C)C)(O)O
• InChI: InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3
• InChI Key: ZAZPDOYUCVFPOI-UHFFFAOYSA-N
• Complexity: 45
• Covalently-Bonded Unit Count: 1
• Exact Mass: 102.08521g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 7
• Monoisotopic Mass: 102.08521g/mol
• Rotatable Bond Count: 2
• UNII: KHX76H7JHZ

Custom Q&A

What is the molecular formula of isobutaneboronic acid?

The molecular formula of isobutaneboronic acid is C4H11BO2.

What are the synonyms for isobutaneboronic acid?

The synonyms for isobutaneboronic acid are Isobutylboronic Acid, 84110-40-7, Isobutaneboronic acid, 2-Methylpropylboronic acid, and (2-Methylpropyl)boronic acid.

What is the molecular weight of isobutaneboronic acid?

The molecular weight of isobutaneboronic acid is 101.94 g/mol.

What is the IUPAC name of isobutaneboronic acid?

The IUPAC name of isobutaneboronic acid is 2-methylpropylboronic acid.

What is the InChI of isobutaneboronic acid?

The InChI of isobutaneboronic acid is InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3.

What is the InChIKey of isobutaneboronic acid?

The InChIKey of isobutaneboronic acid is ZAZPDOYUCVFPOI-UHFFFAOYSA-N.

What is the canonical SMILES of isobutaneboronic acid?

The canonical SMILES of isobutaneboronic acid is B(CC(C)C)(O)O.

What is the CAS number of isobutaneboronic acid?

The CAS number of isobutaneboronic acid is 84110-40-7.

How many hydrogen bond donor counts does isobutaneboronic acid have?

Isobutaneboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does isobutaneboronic acid have?

Isobutaneboronic acid has 2 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 1116-39-8

• 84110-40-7

Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 2053

Upstream Synthesis Route 2

• 112980-86-6

• 4404-98-2
• 26939-18-4
• 84110-40-7

Reference: [1] Russian Journal of Organic Chemistry, 1997, vol. 33, # 1, p. 127 - 128

Upstream Synthesis Route 3

• 112980-86-6
• 134-81-6

• 4404-98-2
• 26939-18-4
• 84110-40-7

Reference: [1] Russian Journal of Organic Chemistry, 1997, vol. 33, # 1, p. 127 - 128

Downstream Synthesis Route 1

• 84110-40-7
• 148547-19-7

• 1014691-14-5

Reference: [1]Patent: WO2008/35239,2008,A1 .Location in patent: Page/Page column 25

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