Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

• CAS: 1048970-17-7
• Catalog Number: ACM1048970177
• Category: Other
• Molecular Weight: 311.2g/mol
• Molecular Formula: C16H30BNO4
• IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCN(CC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
• InChI Key: IBLQMWKHENBVJE-UHFFFAOYSA-N
• Complexity: 406
• Covalently-Bonded Unit Count: 1
• Exact Mass: 311.226789g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 311.226789g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate.

What is the molecular formula of the compound?

The molecular formula of the compound is C16H30BNO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 311.2 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 1048970-17-7.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 48Ų.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the exact mass of the compound?

The exact mass of the compound is 311.2267886 g/mol.

Is the compound canonically standardized?

Yes, the compound is canonically standardized.

How many covalently-bonded unit counts does the compound have?

The compound has 1 covalently-bonded unit count.

Synthetic Use

Upstream Synthesis Route 1

• 375853-82-0

• 1048970-17-7

Reference: [1]Patent: WO2010/118159,2010,A1 .Location in patent: Page/Page column 64-65; 67-68

Upstream Synthesis Route 2

• 73183-34-3
• 180695-79-8

• 1048970-17-7

Reference: [1]RSC Advances,2014,vol. 4,p. 39755 - 39758

Downstream Synthesis Route 1

• 1048970-17-7

• 91419-52-2

Reference: [1] Chemical Communications, 2016, vol. 52, # 41, p. 6793 - 6796

Downstream Synthesis Route 2

• 1048970-17-7

• 180307-56-6

Reference: [1] Organic Letters, 2017, vol. 19, # 10, p. 2762 - 2765

Downstream Synthesis Route 3

• 1048970-17-7

• 1198408-35-3

Reference: [1] European Journal of Medicinal Chemistry, 2018, vol. 144, p. 1 - 28

Downstream Synthesis Route 4

• 40273-45-8
• 1048970-17-7

• 1239205-08-3

Reference: [1]Patent: US2010/204265,2010,A1 .Location in patent: Page/Page column 89

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