Dibenzofuran-4-boronic acid

• CAS: 100124-06-9
• Catalog Number: ACM100124069
• Category: Boronic Acids
• Molecular Weight: 212.01g/mol
• Molecular Formula: C12H9BO3
• Synonyms: RARECHEM AH PB 0052;TIMTEC-BB SBB003426;DIBENZO[B,D]FURAN-4-YLBORONIC ACID;DIBENZOFURAN-4-BORONIC ACID;4-DIBENZOFURANBORONIC ACID;AKOS BRN-0085;Dibenzofuran-4-boronic acid, 98+%;dibenzofuran-4-ylboronic acid
• IUPAC Name: dibenzofuran-4-ylboronic acid
• Canonical SMILES: B(C1=C2C(=CC=C1)C3=CC=CC=C3O2)(O)O
• InChI: InChI=1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
• InChI Key: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
• Complexity: 259
• Covalently-Bonded Unit Count: 1
• Exact Mass: 212.064474g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Monoisotopic Mass: 212.064474g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of Dibenzofuran-4-boronic acid?

The molecular formula of Dibenzofuran-4-boronic acid is C12H9BO3.

What is the molecular weight of Dibenzofuran-4-boronic acid?

The molecular weight of Dibenzofuran-4-boronic acid is 212.01 g/mol.

What is the IUPAC name of Dibenzofuran-4-boronic acid?

The IUPAC name of Dibenzofuran-4-boronic acid is dibenzofuran-4-ylboronic acid.

What is the InChI of Dibenzofuran-4-boronic acid?

The InChI of Dibenzofuran-4-boronic acid is InChI=1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H.

What is the InChIKey of Dibenzofuran-4-boronic acid?

The InChIKey of Dibenzofuran-4-boronic acid is ZXHUJRZYLRVVNP-UHFFFAOYSA-N.

What is the canonical SMILES of Dibenzofuran-4-boronic acid?

The canonical SMILES of Dibenzofuran-4-boronic acid is B(C1=C2C(=CC=C1)C3=CC=CC=C3O2)(O)O.

What is the CAS number of Dibenzofuran-4-boronic acid?

The CAS number of Dibenzofuran-4-boronic acid is 100124-06-9.

What is the European Community (EC) number of Dibenzofuran-4-boronic acid?

The European Community (EC) number of Dibenzofuran-4-boronic acid is 672-293-9.

What is the DSSTox Substance ID of Dibenzofuran-4-boronic acid?

The DSSTox Substance ID of Dibenzofuran-4-boronic acid is DTXSID40370219.

Is Dibenzofuran-4-boronic acid considered a covalently-bonded unit?

Yes, Dibenzofuran-4-boronic acid is considered a covalently-bonded unit.

Synthetic Use

Upstream Synthesis Route 1

• 89827-45-2
• 121-43-7

• 100124-06-9

Reference: [1] Patent: US9172047, 2015, B2, . Location in patent: Page/Page column 17

Downstream Synthesis Route 1

• 100124-06-9

• 65344-26-5

Reference: [1] Chemistry - A European Journal, 2011, vol. 17, # 20, p. 5652 - 5660

Downstream Synthesis Route 2

• 100124-06-9

• 50548-43-1

Reference: [1] Angewandte Chemie - International Edition, 2009, vol. 48, # 6, p. 1114 - 1116
[2] Journal of the American Chemical Society, 2012, vol. 134, # 44, p. 18253 - 18256

Downstream Synthesis Route 3

• 100124-06-9
• 608-72-0

• 109392-74-7

Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 3932 - 3934

Downstream Synthesis Route 4

• 100124-06-9
• 88275-87-0

• 1027019-64-2

Reference: [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 3573 - 3575

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