4,4'-Di-tert-butyl-2,2'-bipyridine

• Catalog Number: ACM72914193-2
• Product Name: 4,4'-Di-tert-butyl-2,2'-bipyridine
• CAS: 72914-19-3
• Category: Polymer/Macromolecule
• Synonyms: BBBPY; 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine
• IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine
• Molecular Weight: 268.40
• Molecular Formula: C18H24N2
• Canonical SMILES: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
• InChI: TXNLQUKVUJITMX-UHFFFAOYSA-N
• InChI Key: InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
• Boiling Point: 395.4±42.0 °C(Predicted)
• Melting Point: 159-161 °C-lit.
• Appearance: White solid
• Application: Ligand for the iridium-catalyzed borylation of arenes; ; Ligand for the iridium-catalyzed synthesis of arylboronic acids and aryl trifluoroborates; ; Ligand for the nickel-catalyzed hydroxycarboxylation of 1,2-dienes by reaction carbon dioxide and oxygen; ; Ligand for the iridium-catalyzed meta borylation followed by halogenation of 1,3-disubstituted arenes; ; Ligand for the iridium-catalyzed silyl-directed ortho-borylation of arenes; ; Ligand for the iridium-catalyzed silane borylation followed by aryl borylation; ; Ligand for the iridium-catalyzed microwave-accelerated borylation of aromatic C-H bonds; ; Ligand for the iridium-catalyzed silyl-directed borylation of indoles; ; Ligand for the nickel-catalyzed synthesis of functionalized dialkyl ketones from carboxylic acids and alkyl halides; ; Ligand for the iron-catalyzed arylation of heterocycles
• Complexity: 278
• Covalently-Bonded Unit Count: 1
• Exact Mass: 268.193948774
• H-Bond Acceptor: 2
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 268.193948774
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 25.8 Ų

Custom Q&A

What is the molecular formula of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The molecular formula of 4,4'-Di-tert-butyl-2,2'-bipyridine is C18H26N2.

What are the synonyms of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The synonyms of 4,4'-Di-tert-butyl-2,2'-bipyridine are SCHEMBL811408 and JFFQOKQBOFHZKF-UHFFFAOYSA-N.

What is the molecular weight of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The molecular weight of 4,4'-Di-tert-butyl-2,2'-bipyridine is 270.4 g/mol.

What is the IUPAC name of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The IUPAC name of 4,4'-Di-tert-butyl-2,2'-bipyridine is 4,4-ditert-butyl-2-pyridin-2-yl-3H-pyridine.

What is the InChI of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The InChI of 4,4'-Di-tert-butyl-2,2'-bipyridine is InChI=1S/C18H26N2/c1-16(2,3)18(17(4,5)6)10-12-20-15(13-18)14-9-7-8-11-19-14/h7-12H,13H2,1-6H3.

What is the InChIKey of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The InChIKey of 4,4'-Di-tert-butyl-2,2'-bipyridine is JFFQOKQBOFHZKF-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The canonical SMILES of 4,4'-Di-tert-butyl-2,2'-bipyridine is CC(C)(C)C1(CC(=NC=C1)C2=CC=CC=N2)C(C)(C)C.

What is the XLogP3-AA value of 4,4'-Di-tert-butyl-2,2'-bipyridine?

The XLogP3-AA value of 4,4'-Di-tert-butyl-2,2'-bipyridine is 4.7.

How many hydrogen bond donor count does 4,4'-Di-tert-butyl-2,2'-bipyridine have?

4,4'-Di-tert-butyl-2,2'-bipyridine has 0 hydrogen bond donor counts.

How many rotatable bond count does 4,4'-Di-tert-butyl-2,2'-bipyridine have?

4,4'-Di-tert-butyl-2,2'-bipyridine has 3 rotatable bond counts.