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ChemicalBook >  Product Catalog >  Pharmaceutical intermediates >  Heterocyclic compound >  Pyridine compound >  Pyridine derivatives >  4,4'-Di-tert-butyl-2,2'-dipyridyl

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

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4,4'-Di-tert-butyl-2,2'-dipyridyl Basic information

Product Name:
4,4'-Di-tert-butyl-2,2'-dipyridyl
Synonyms:
  • 4,4'-Di-tert-butyl-2,2'-dipyidyl
  • l-2,2'-bipyridine
  • 4 4'-DI-TERT-BUTYL-2 2'-DIPYRIDYL 98
  • 4,4'-Di-O-tert-butyl-2,2'-bypyridine
  • 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine
  • dbbpy
  • 2,2'-Bipyridine,4,4'-bis(1,1-diMethylethyl)-
  • 4,4'-Di-tert-butyl-2,2'-dipyridyl 98%
CAS:
72914-19-3
MF:
C18H24N2
MW:
268.4
Product Categories:
  • Heterocycle-Pyridine series
  • Achiral Nitrogen
  • Py-N
  • C9 to C46
  • Heterocyclic Building Blocks
  • Pyridines
Mol File:
72914-19-3.mol
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4,4'-Di-tert-butyl-2,2'-dipyridyl Chemical Properties

Melting point:
159-161 °C(lit.)
Boiling point:
395.4±42.0 °C(Predicted)
Density 
0.977
storage temp. 
Inert atmosphere,Room Temperature
solubility 
DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka
5.15±0.30(Predicted)
form 
crystal
color 
white
Stability:
hygroscopic
InChI
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
InChIKey
TXNLQUKVUJITMX-UHFFFAOYSA-N
SMILES
C1(C2=NC=CC(C(C)(C)C)=C2)=NC=CC(C(C)(C)C)=C1
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
TSCA 
No
HS Code 
29333990
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4,4'-Di-tert-butyl-2,2'-dipyridyl Usage And Synthesis

Reaction

  1. Ligand for the iridium-catalyzed borylation of arenes
  2. Ligand for the iridium-catalyzed synthesis of arylboronic acids and aryl trifluoroborates
  3. Ligand for the nickel-catalyzed hydroxycarboxylation of 1,2-dienes by reaction carbon dioxide and oxygen
  4. Ligand for the iridium-catalyzed meta borylation followed by halogenation of 1,3-disubstituted arenes
  5. Ligand for the iridium-catalyzed silyl-directed ortho-borylation of arenes
  6. Ligand for the iridium-catalyzed silane borylation followed by aryl borylation
  7. Ligand for the iridium-catalyzed microwave-accelerated borylation of aromatic C-H bonds
  8. Ligand for the iridium-catalyzed silyl-directed borylation of indoles
  9. Ligand for the nickel-catalyzed synthesis of functionalized dialkyl ketones from carboxylic acids and alkyl halides
  10. Ligand for the iron-catalyzed arylation of heterocycles 



Chemical Properties

white cyrstalline powder

Uses

4,4'-Di-tert-butyl-2,2'-dipyridyl acts as a reagent in the preparation, antiproliferative and cytotoxic activity of apoptotic ruthenium nitrogen heterocyclic complexes via combinatorial library synthesis.

Synthesis

3978-81-2

72914-19-3

In this embodiment, the synthesis of 4,4'-di-tert-butyl-2,2'-bipyridine from 4-tert-butylpyridine was investigated. This was done as follows: 4-tert-butylpyridine (0.5 mmol) was reacted with SD (1 to 2 molar equivalents) in THF (2 to 4 mL) at a reaction temperature of 50°C for a reaction time of 1 to 24 hours. Upon completion of the reaction, the reaction products were isolated and purified according to the method of Example 1 to obtain 4,4'-di-tert-butyl-2,2'-bipyridine (target product), 4-tert-butyl-1,4-dihydropyridine (byproduct 1), and 4,4',4''-tri-tert-butyl-2,2':6',2''-tripyridine (byproduct 3), and the respective yields were calculated. Also, the recovery of unreacted 4-tert-butylpyridine was calculated. The experimental results showed that the highest yield of 4,4'-di-tert-butyl-2,2'-bipyridine was achieved under the optimal conditions (0.5 mmol of 4-tert-butylpyridine reacted with 1 molar equivalent of SD in 4 mL of THF at 50 °C for 6 h) and no by-products were generated. In addition, the use of 2 molar equivalents of SD resulted in a lower yield and material balance. Comparison with Example 1 shows that decreasing the concentration of 4-tert-butylpyridine and SD relative to THF contributes to higher yields.

References

[1] Patent: US2018/282278, 2018, A1. Location in patent: Paragraph 0057; 0127-0130
[2] Helvetica Chimica Acta, 1980, vol. 63, # 6, p. 1675 - 1702
[3] Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 2000, # 1, p. 63 - 68
[4] Inorganica Chimica Acta, 2011, vol. 365, # 1, p. 127 - 132
[5] Synthesis (Germany), 2013, vol. 45, # 22, p. 3099 - 3102

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