2-Formylfuran-5-boronic acid

• CAS: 27329-70-0
• Catalog Number: ACM27329700
• Category: Boronic Acids
• Molecular Weight: 139.9g/mol
• Molecular Formula: C5H5BO4
• Synonyms: FFBA;CHEMBRDG-BB 3200975;5-FORMYL-2-FURANBORONIC ACID;5-FORMYL-2-FURYLBORONIC ACID;(5-FORMYL-2-FURANYL)BORONIC ACID;5-FORMYLFURAN-2-BORONIC ACID;AKOS BRN-0038;2-FORMYLFURAN-5-BORONIC ACID
• IUPAC Name: (5-formylfuran-2-yl)boronic acid
• Canonical SMILES: B(C1=CC=C(O1)C=O)(O)O
• InChI: InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
• InChI Key: JUWYQISLQJRRNT-UHFFFAOYSA-N
• Complexity: 127
• Covalently-Bonded Unit Count: 1
• Exact Mass: 140.028089g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 140.028089g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2-Formylfuran-5-boronic acid?

The molecular formula is C5H5BO4.

What is the molecular weight of 2-Formylfuran-5-boronic acid?

The molecular weight is 139.90 g/mol.

What is the IUPAC name of 2-Formylfuran-5-boronic acid?

The IUPAC name is (5-formylfuran-2-yl)boronic acid.

What is the InChI of 2-Formylfuran-5-boronic acid?

The InChI is InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H.

What is the InChIKey of 2-Formylfuran-5-boronic acid?

The InChIKey is JUWYQISLQJRRNT-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Formylfuran-5-boronic acid?

The Canonical SMILES is B(C1=CC=C(O1)C=O)(O)O.

What is the CAS number of 2-Formylfuran-5-boronic acid?

The CAS number is 27329-70-0.

What is the European Community (EC) Number of 2-Formylfuran-5-boronic acid?

The European Community (EC) Number is 628-001-7.

What is the PubChem CID of 2-Formylfuran-5-boronic acid?

The PubChem CID is 2734355.

Is 2-Formylfuran-5-boronic acid a canonicalized compound?

Yes, 2-Formylfuran-5-boronic acid is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 13529-27-6

• 27329-70-0

Reference: [1]Patent: EP1403271,2004,A1 .Location in patent: Page 3, 4

Downstream Synthesis Route 1

• 637-87-6
• 27329-70-0

• 34035-03-5

Reference: [1] European Journal of Medicinal Chemistry, 2017, vol. 126, p. 929 - 936
[2] Chemical Biology and Drug Design, 2017, vol. 89, # 4, p. 585 - 598

Downstream Synthesis Route 2

• 106-39-8
• 27329-70-0

• 34035-03-5

Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 21, p. 6384 - 6393,10
[2] Organic and Biomolecular Chemistry, 2012, vol. 10, # 36, p. 7402 - 7417

Downstream Synthesis Route 3

• 27329-70-0

• 52938-97-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 21, p. 6384 - 6393,10

Downstream Synthesis Route 4

• 27329-70-0
• 619-42-1

• 53355-29-6

Reference: [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 4585 - 4600
[2]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2159 - 2161

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