Butane-1-boronic acid pinacol ester

• CAS: 69190-62-1
• Catalog Number: ACM69190621
• Category: Other
• Molecular Weight: 184.08
• Molecular Formula: C₁₀H₂₁BO₂
• Synonyms: n-Butylboronic acid pinacol ester, 680923_ALDRICH, BM089, 2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 69190-62-1
• IUPAC Name: 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)CCCC
• InChI Key: ZHBANXSNVFDSMK-UHFFFAOYSA-N
• Boiling Point: 185-189
• Flash Point: 58ºC
• Density: 0.865
• EC Number: 614-932-6
• Exact Mass: 184.16300
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: S26-S36-S37-S39

Custom Q&A

What is the molecular formula of Butane-1-boronic acid pinacol ester?

The molecular formula is C10H21BO2.

What is the molecular weight of Butane-1-boronic acid pinacol ester?

The molecular weight is 184.09 g/mol.

What are some synonyms for Butane-1-boronic acid pinacol ester?

Synonyms include 2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, n-Butylboronic acid pinacol ester, and Butane-1-boronic acid pinacol ester.

When was Butane-1-boronic acid pinacol ester created according to PubChem?

It was created on 2005-07-19.

What is the InChIKey for Butane-1-boronic acid pinacol ester?

The InChIKey is ZHBANXSNVFDSMK-UHFFFAOYSA-N.

How many hydrogen bond acceptors are there in Butane-1-boronic acid pinacol ester?

There are 2 hydrogen bond acceptors.

What is the topological polar surface area of Butane-1-boronic acid pinacol ester?

The topological polar surface area is 18.5Ų.

Does Butane-1-boronic acid pinacol ester have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.

How many rotatable bonds are there in Butane-1-boronic acid pinacol ester?

There are 3 rotatable bonds.

Is Butane-1-boronic acid pinacol ester represented in canonical form?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 109-65-9
• 73183-34-3

• 69190-62-1

Reference: [1] Organic Letters, 2012, vol. 14, # 3, p. 890 - 893
[2] Organic Letters, 2016, vol. 18, # 17, p. 4440 - 4443
[3] RSC Advances, 2015, vol. 5, # 58, p. 46672 - 46676
[4] Organic and Biomolecular Chemistry, 2016, vol. 14, # 20, p. 4585 - 4589

Upstream Synthesis Route 2

• 280550-84-7

• 69190-62-1

Reference: [1] Journal of the American Chemical Society, 2000, vol. 122, # 23, p. 5455 - 5463

Upstream Synthesis Route 3

• 109-72-8
• 557087-01-1

• 69190-62-1

Reference: [1] Patent: CN102093399, 2016, B, . Location in patent: Paragraph 0027-0028

Upstream Synthesis Route 4

• 109-72-8
• 66080-31-7

• 69190-62-1

Reference: [1]Journal of Organic Chemistry,1979,vol. 44,p. 1352 - 1354

Upstream Synthesis Route 5

• 76-09-5
• 2117-94-4

• 69190-62-1

Reference: [1]Journal of Organic Chemistry,1979,vol. 44,p. 1352 - 1354