1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester

• CAS: 885693-20-9
• Catalog Number: ACM885693209
• Category: Boronic Esters
• Molecular Weight: 309.2g/mol
• Molecular Formula: C16H28BNO4
• IUPAC Name: tert-butyl 5-(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=CCCN(C2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
• InChI Key: KEEIJBAOTMNSEN-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 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The molecular formula is C16H28BNO4.

What is the IUPAC name of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

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

What is the chemical structure of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The chemical structure is not provided in the reference.

What is the molecular weight of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The molecular weight is 309.2 g/mol.

What is the InChI of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The InChI is InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3.

What is the InChIKey of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The InChIKey is KEEIJBAOTMNSEN-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C.

What is the CAS number of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The CAS number is 885693-20-9.

What is the European Community (EC) number of 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester?

The European Community (EC) number is 828-445-3.

Is 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 180691-65-0
• 73183-34-3

• 885693-20-9

Reference: [1] Patent: WO2006/47277, 2006, A2, . Location in patent: Page/Page column 97

Upstream Synthesis Route 2

• 98977-36-7

• 885693-20-9
• 1121057-77-9

Reference: [1] Patent: WO2011/143495, 2011, A1, . Location in patent: Page/Page column 85

Upstream Synthesis Route 3

• 98977-36-7

• 885693-20-9

Reference: [1] Patent: WO2011/29046, 2011, A1,

Downstream Synthesis Route 1

• 885693-20-9
• 887475-71-0

• 887475-83-4

Reference: [1]Patent: US2007/105864,2007,A1 .Location in patent: Page/Page column 180

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