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

Catalog Number	ACM72914193-2
CAS	72914-19-3
Structure
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.
Purity	98%
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
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

Q&A

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 268.4.

What are the product categories that 4,4'-Di-tert-butyl-2,2'-bipyridine belongs to?

The product categories include Heterocycle-Pyridine series; Achiral Nitrogen; Py-N; C9 to C46; Heterocyclic Building Blocks; Pyridines.

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

The chemical formula of 4,4'-Di-tert-butyl-2,2'-bipyridine is C18H24N2.

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

The melting point of 4,4'-Di-tert-butyl-2,2'-bipyridine is 159-161 °C.

What is the solubility of 4,4'-Di-tert-butyl-2,2'-bipyridine in DMSO, Ethyl Acetate, and Methanol?

It is slightly soluble in DMSO, Ethyl Acetate, and Methanol.

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

The color of 4,4'-Di-tert-butyl-2,2'-bipyridine is white.

What is the hazard code associated with 4,4'-Di-tert-butyl-2,2'-bipyridine?

The hazard code is Xi.

What are some safety statements related to the handling of 4,4'-Di-tert-butyl-2,2'-bipyridine?

Safety Statements 26-36 are related to the handling of this compound.

What reactions can 4,4'-Di-tert-butyl-2,2'-bipyridine undergo as a ligand?

It can undergo reactions such as iridium-catalyzed borylation of arenes, nickel-catalyzed hydroxycarboxylation of 1,2-dienes, and more.

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

One use is that it acts as a reagent in the preparation, antiproliferative, and cytotoxic activity of apoptotic ruthenium nitrogen heterocyclic complexes via combinatorial library synthesis.