5-Methylfuran-2-boronic acid pinacol ester

• CAS: 338998-93-9
• Catalog Number: ACM338998939
• Category: Boronic Esters
• Molecular Weight: 208.06
• Molecular Formula: C₁₁H₁₇BO₃
• Synonyms: 338998-93-9, 5-Methylfuran-2-boronic acid pinacol ester, 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane, 2-Methylfurane-5-boronic acid pinacol ester, 2-Methylfurane-5-boronicacidpinacolester, 5-Methyl-2-furanboronic acid pinacol ester, 2-(5-Methylfur-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)furan, PubChem23278, AC1MC6GB, SureCN482469, 680109_ALDRICH, CTK4H1424, MolPort-000-931-739, ANW-41945, OR7474, AKOS004113937, AB13349, AG-F-14675, AK-84221
• IUPAC Name: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
• InChI Key: FNPZFZKLYGWKLH-UHFFFAOYSA-N
• Boiling Point: 277.8ºC at 760 mmHg
• Density: 1.02 g/cm³
• Exact Mass: 208.12700
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 5-Methylfuran-2-boronic acid pinacol ester?

The molecular formula is C11H17BO3.

What is the molecular weight of 5-Methylfuran-2-boronic acid pinacol ester?

The molecular weight is 208.06 g/mol.

What is the IUPAC name of 5-Methylfuran-2-boronic acid pinacol ester?

The IUPAC name is 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane.

What is the InChI of 5-Methylfuran-2-boronic acid pinacol ester?

The InChI is InChI=1S/C11H17BO3/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3.

What is the InChIKey of 5-Methylfuran-2-boronic acid pinacol ester?

The InChIKey is FNPZFZKLYGWKLH-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Methylfuran-2-boronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)C.

What is the CAS number of 5-Methylfuran-2-boronic acid pinacol ester?

The CAS number is 338998-93-9.

What is the European Community (EC) number of 5-Methylfuran-2-boronic acid pinacol ester?

The EC number is 843-920-5.

What is the DSSTox Substance ID of 5-Methylfuran-2-boronic acid pinacol ester?

The DSSTox Substance ID is DTXSID30371674.

Is 5-Methylfuran-2-boronic acid pinacol ester a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 534-22-5
• 25015-63-8

• 338998-93-9

Reference: [1] Patent: WO2015/89119, 2015, A1, . Location in patent: Page/Page column 34

Upstream Synthesis Route 2

• 534-22-5
• 557087-01-1

• 338998-93-9

Reference: [1] Patent: CN102093399, 2016, B, . Location in patent: Paragraph 0039-0040

Downstream Synthesis Route 1

• 338998-93-9

• 534-22-5
• 62306-79-0

Reference: [1] Organic Letters, 2012, vol. 14, # 16, p. 4266 - 4269

Downstream Synthesis Route 2

• 953391-61-2
• 338998-93-9

• 953391-62-3

Reference: [1]Patent: WO2007/118852,2007,A1 .Location in patent: Page/Page column 24

Downstream Synthesis Route 3

• 953391-80-5
• 338998-93-9

• 953391-81-6

Reference: [1]Patent: WO2007/118852,2007,A1 .Location in patent: Page/Page column 29

Downstream Synthesis Route 4

• 953391-74-7
• 338998-93-9

• 953391-94-1

Reference: [1]Patent: WO2007/118852,2007,A1 .Location in patent: Page/Page column 33

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