3-Furanboronic acid pinacol ester

• CAS: 248924-59-6
• Catalog Number: ACM248924596
• Category: Other
• Molecular Weight: 194.04g/mol
• Molecular Formula: C10H15BO3
• IUPAC Name: 2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=COC=C2
• InChI: InChI=1S/C10H15BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7H,1-4H3
• InChI Key: KTBLRYUFNBABGO-UHFFFAOYSA-N
• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Exact Mass: 194.111424g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 194.111424g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the IUPAC name of 3-Furanboronic acid pinacol ester?

The IUPAC name of 3-Furanboronic acid pinacol ester is 2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the molecular formula of 3-Furanboronic acid pinacol ester?

The molecular formula of 3-Furanboronic acid pinacol ester is C10H15BO3.

What is the molecular weight of 3-Furanboronic acid pinacol ester?

The molecular weight of 3-Furanboronic acid pinacol ester is 194.04 g/mol.

What is the InChI of 3-Furanboronic acid pinacol ester?

The InChI of 3-Furanboronic acid pinacol ester is InChI=1S/C10H15BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7H,1-4H3.

What is the InChIKey of 3-Furanboronic acid pinacol ester?

The InChIKey of 3-Furanboronic acid pinacol ester is KTBLRYUFNBABGO-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Furanboronic acid pinacol ester?

The canonical SMILES of 3-Furanboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=COC=C2.

What is the CAS number of 3-Furanboronic acid pinacol ester?

The CAS number of 3-Furanboronic acid pinacol ester is 248924-59-6.

What is the European Community (EC) Number of 3-Furanboronic acid pinacol ester?

The European Community (EC) Number of 3-Furanboronic acid pinacol ester is 692-049-5.

What is the DSSTox Substance ID of 3-Furanboronic acid pinacol ester?

The DSSTox Substance ID of 3-Furanboronic acid pinacol ester is DTXSID50378822.

Is 3-Furanboronic acid pinacol ester a covalently-bonded unit?

Yes, 3-Furanboronic acid pinacol ester is a covalently-bonded unit.

Synthetic Use

Upstream Synthesis Route 1

• 110-00-9
• 73183-34-3

• 374790-93-9
• 248924-59-6

Reference: [1] Tetrahedron Letters, 2002, vol. 43, # 32, p. 5649 - 5651

Upstream Synthesis Route 2

• 22037-28-1
• 73183-34-3

• 248924-59-6

Reference: [1] Organic Letters, 2014, vol. 16, # 17, p. 4562 - 4565
[2] Journal of the American Chemical Society, 2017, vol. 139, # 2, p. 607 - 610
[3] Synlett, 2018, vol. 29, # 8, p. 1055 - 1060

Upstream Synthesis Route 3

• 76-09-5
• 55552-70-0

• 248924-59-6

Reference: [1] Journal of the American Chemical Society, 2015, vol. 137, # 3, p. 1330 - 1340

Downstream Synthesis Route 1

• 952289-07-5
• 248924-59-6

• 952289-09-7

Reference: [1]Patent: US2007/238737,2007,A1 .Location in patent: Page/Page column 13

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