N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

• CAS: 286961-14-6
• Catalog Number: ACM286961146
• Category: Other
• Molecular Weight: 309.2g/mol
• Molecular Formula: C16H28BNO4
• Synonyms: N-BOC-1,2,5,6-TETRAHYDROPYRIDINE-4-(PINACOLATO)BORONATE;(N-TERT-BUTOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER;4-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;3,6-DIHYDRO-2H-PYRIDINE-1-TERT-BUTOXYCARBONYL-4-BORONIC ACID, PINACOL ESTER;1-N-BOC-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE;PyridineC5H5N;3,6-Dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester;1-N-BOC-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE 98+%
• IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h8H,9-11H2,1-7H3
• InChI Key: VVDCRJGWILREQH-UHFFFAOYSA-N
• Complexity: 463
• Covalently-Bonded Unit Count: 1
• Exact Mass: 309.211139g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 309.211139g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?

The molecular formula is C16H28BNO4.

What is the molecular weight of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?

The molecular weight is 309.2 g/mol.

When was N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester created?

It was created on September 16, 2005.

What is the IUPAC Name of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?

The IUPAC Name is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the InChIKey of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?

The InChIKey is VVDCRJGWILREQH-UHFFFAOYSA-N.

How many hydrogen bond donor count does N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester have?

It has 4 hydrogen bond acceptor count.

What is the exact mass of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?

The exact mass is 309.2111385 g/mol.

How many rotatable bond count does N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester have?

It has 3 rotatable bond count.

Is N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 166281-37-4
• 286961-14-6

• 947614-68-8

Reference: [1]Current Patent Assignee: SANTHERA PHARMACEUTICALS HOLDING AG - EP1842846, 2007, A1
Location in patent: Page/Page column 40-41
[2]Location in patent: scheme or table
Gray, David L.; Xu, Wenjian; Campbell, Brian M.; Dounay, Amy B.; Barta, Nancy; Boroski, Susan; Denny, Lynne; Evans, Lori; Stratman, Nancy; Probert, Al
[Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 23, p. 6604 - 6607]
[3]Current Patent Assignee: SANTHERA PHARMACEUTICALS HOLDING AG - EP1826201, 2007, A1
Location in patent: Page/Page column 29

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