3-Hydroxyphenylboronic acid pinacol ester

• CAS: 214360-76-6
• Catalog Number: ACM214360766
• Category: Other
• Molecular Weight: 220.07
• Molecular Formula: C₁₂H₁₇BO₃
• Synonyms: Pinacol cyclic ester, 3-Hydroxyphenylboronic acid, 522562_ALDRICH, BM008, 3-Hydroxyphenylboronic acid pinacol ester, ST5405623, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 214360-76-6
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)O
• InChI Key: MUKIFYQKIZOYKT-UHFFFAOYSA-N
• Boiling Point: 343.6ºC at 760 mmHg
• Melting Point: 94-98ºC(lit.)
• Flash Point: 161.6ºC
• Density: 1.08g/cm³
• Appearance: light brown crystalline powder
• Exact Mass: 220.12700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: 26-36
• WGK Germany: 3

Custom Q&A

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

The molecular formula of 3-Hydroxyphenylboronic acid pinacol ester is C12H17BO3.

When was the compound created and last modified?

The compound was created on July 19, 2005, and last modified on December 2, 2023.

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

The IUPAC name of 3-Hydroxyphenylboronic acid pinacol ester is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

What is the InChIKey of the compound?

The InChIKey of 3-Hydroxyphenylboronic acid pinacol ester is MUKIFYQKIZOYKT-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has one hydrogen bond donor count.

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

The topological polar surface area of the compound is 38.7Ų.

How many heavy atoms does the compound contain?

The compound contains 16 heavy atoms.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the exact mass of 3-Hydroxyphenylboronic acid pinacol ester?

The exact mass of the compound is 220.1270746 g/mol.

How many hydrogen bond acceptor counts does the compound have?

The compound has three hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 95770-20-0
• 73183-34-3

• 269409-70-3
• 269409-97-4
• 214360-76-6

Reference: [1] Journal of the American Chemical Society, 2017, vol. 139, # 23, p. 7864 - 7871

Upstream Synthesis Route 2

• 765908-38-1

• 214360-76-6

Reference: [1] Tetrahedron Letters, 2004, vol. 45, # 35, p. 6657 - 6660

Upstream Synthesis Route 3

• 76-09-5
• 87199-18-6

• 214360-76-6

Reference: [1] Patent: CN107188901, 2017, A, . Location in patent: Paragraph 0035; 0036