3-Bromomethylphenylboronic acid, pinacol ester

• CAS: 214360-74-4
• Catalog Number: ACM214360744
• Category: Boronic Esters
• Molecular Weight: 297
• Molecular Formula: C₁₃H₁₈BBrO₂

Custom Q&A

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

The molecular formula is C13H18BBrO2.

What are some synonyms for 3-Bromomethylphenylboronic acid, pinacol ester?

Some synonyms include 214360-74-4, 2-(3-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and (3-Bromomethylphenyl)boronic acid pinacol ester.

When was 3-Bromomethylphenylboronic acid, pinacol ester created in PubChem?

It was created on July 19, 2005.

What is the InChIKey of 3-Bromomethylphenylboronic acid, pinacol ester?

The InChIKey is WUIYGXGXVOHAFW-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 3-Bromomethylphenylboronic acid, pinacol ester have?

It has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Bromomethylphenylboronic acid, pinacol ester?

The topological polar surface area is 18.5Ų.

How many heavy atoms are present in the compound?

There are 17 heavy atoms present.

Does 3-Bromomethylphenylboronic acid, pinacol ester have any defined bond stereocenter counts?

No, it does not have any defined bond stereocenter counts.

What is the complexity value of 3-Bromomethylphenylboronic acid, pinacol ester?

The complexity value is 265.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 253342-48-2

• 214360-74-4

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2001,vol. 11,p. 59 - 62
[2]Chemical Communications,2014,vol. 50,p. 8242 - 8245

Downstream Synthesis Route 1

• 110-91-8
• 214360-74-4

• 364794-80-9

Reference: [1] ACS Combinatorial Science, 2011, vol. 13, # 1, p. 24 - 31

Downstream Synthesis Route 2

• 109-01-3
• 214360-74-4

• 883738-27-0

Reference: [1] Patent: US2006/84650, 2006, A1, . Location in patent: Page/Page column 108-109

Downstream Synthesis Route 3

• 124-40-3
• 214360-74-4

• 909391-56-6

Reference: [1] Patent: WO2006/95014, 2006, A1, . Location in patent: Page/Page column 43-44

Downstream Synthesis Route 4

• 109-01-3
• 214360-74-4

• 883738-27-0

Reference: [1]Patent: US2006/84650,2006,A1 .Location in patent: Page/Page column 108-109

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