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

• Catalog Number: ACM885693209
• Product Name: 1-Boc-3,6-dihydro-2H-pyridine-5-boronic acid pinacol ester
• CAS: 885693-20-9
• Category: Boronic Esters
• IUPAC Name: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• Molecular Weight: 309.2g/mol
• Molecular Formula: C16H28BNO4
• 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.