2-Phenylthiophene-5-boronic acid pinacol ester

• CAS: 459409-74-6
• Catalog Number: ACM459409746
• Category: Boronic Esters
• Molecular Weight: 204.05
• Molecular Formula: C₁₆H₁₉BO₂S
• Synonyms: 2-PHENYLTHIOPHENE-5-BORONIC ACID PINACOL ESTER;5-PHENYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER
• IUPAC Name: 4,4,5,5-tetramethyl-2-(5-phenylthiophen-2-yl)-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=CC=C3
• InChI Key: BOTJOCNWKJVWRR-UHFFFAOYSA-N
• Exact Mass: 286.12000
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

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

The molecular formula of 2-Phenylthiophene-5-boronic acid pinacol ester is C16H19BO2S.

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

The molecular weight of 2-Phenylthiophene-5-boronic acid pinacol ester is 286.2 g/mol.

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

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

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

The InChI of 2-Phenylthiophene-5-boronic acid pinacol ester is InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-11-10-13(20-14)12-8-6-5-7-9-12/h5-11H,1-4H3.

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

The InChIKey of 2-Phenylthiophene-5-boronic acid pinacol ester is BOTJOCNWKJVWRR-UHFFFAOYSA-N.

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

The canonical SMILES of 2-Phenylthiophene-5-boronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=CC=C3.

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

The CAS number of 2-Phenylthiophene-5-boronic acid pinacol ester is 459409-74-6.

How many hydrogen bond donor counts does 2-Phenylthiophene-5-boronic acid pinacol ester have?

2-Phenylthiophene-5-boronic acid pinacol ester has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Phenylthiophene-5-boronic acid pinacol ester have?

2-Phenylthiophene-5-boronic acid pinacol ester has 3 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 591-50-4
• 1408285-51-7

• 459409-74-6

Reference: [1] Organic Letters, 2013, vol. 15, # 18, p. 4666 - 4669

Upstream Synthesis Route 2

• 825-55-8
• 25015-63-8

• 459409-74-6

Reference: [1] Chemistry - An Asian Journal, 2010, vol. 5, # 7, p. 1657 - 1666

Upstream Synthesis Route 3

• 61676-62-8

• 459409-74-6

Reference: [1] Organic Letters, 2013, vol. 15, # 18, p. 4666 - 4669

Upstream Synthesis Route 4

• 76-09-5
• 306934-95-2

• 459409-74-6

Reference: [1]Chemistry - A European Journal,2002,vol. 8,p. 2384 - 2396

Upstream Synthesis Route 5

• 29488-24-2

• 459409-74-6

Reference: [1]Chemistry - A European Journal,2002,vol. 8,p. 2384 - 2396