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

Base Information

• Chemical Name: 4,4'-Di-tert-butyl-2,2'-bipyridine
• CAS No.: 72914-19-3
• Molecular Formula: C18H24N2
• Molecular Weight: 268.402
• Hs Code.: 29333990
• European Community (EC) Number: 629-463-2
• ChEMBL ID: CHEMBL100948
• Nikkaji Number: J534.400J
• Wikidata: Q107917643
• Mol file: 72914-19-3.mol

Synonyms:4,4'-Di-tert-butyl-2,2'-bipyridine;72914-19-3;4,4'-Di-tert-butyl-2,2'-dipyridyl;4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;BBBPY;4,4'-Di-tert-butyl-2,2'-bipyridyl;4-tert-Butyl-2-(4-tert-butyl-2-pyridyl)pyridine;MFCD01863731;4,4'-Bis(tert-butyl)-2,2'-bipyridine;4,4'-BIS(T-BUTYL)-2,2'-BIPYRIDINE;2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-;DTBPY;4,4'-DI-TERT-BUTYL BIPYRIDINE;SCHEMBL347025;CHEMBL100948;YSSJ1560;TXNLQUKVUJITMX-UHFFFAOYSA-N;4,4'-di-t-butyl-2,2'-bipyridine;4,4'-di-tertbutyl-2,2'-bipyridine;AKOS015841112;AB10412;CS-W004588;4,4'-di-(t-butyl)-2,2'-bipyridyl;4,4'-Di-tert-butyl-[2,2']bipyridinyl;AC-29796;DS-15726;SY012241;4,4'-Bis(di-t-butyl)-2,2'-bipyridine;D3134;FT-0688267;4,4'-Di-tert-butyl-2,2'-dipyridyl, 98%;EN300-195075;W-200561;4,4 inverted exclamation mark -Di-tert-butyl-2,2 inverted exclamation mark -dipyridyl

Chemical Property of 4,4'-Di-tert-butyl-2,2'-bipyridine

Chemical Property:

• Melting Point: 159-161 °C(lit.)
• Boiling Point: 395.4 °C at 760 mmHg
• PKA: 5.15±0.30(Predicted)
• Flash Point: 150.2 °C
• PSA: 25.78000
• Density: 0.977 g/cm³
• LogP: 4.73860
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 268.193948774
• Heavy Atom Count: 20
• Complexity: 278

Purity/Quality:

98% ^*data from raw suppliers

4,4''-Di-tert-butyl-2,2''-bipyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
• Uses: 4,4''-Di-tert-butyl-2,2''-bipyridine acts as a reagent in the preparation, antiproliferative and cytotoxic activity of apoptotic ruthenium nitrogen heterocyclic complexes via combinatorial library synthesis.

Technology Process of 4,4'-Di-tert-butyl-2,2'-bipyridine

There total 19 articles about 4,4'-Di-tert-butyl-2,2'-bipyridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

2-chloro-4-(1,1-dimethylethyl)pyridine (81167-60-4) → 4,4'-di-tert-butyl-2,2'-bipyridine (72914-19-3)

Guidance literature:

With manganese; nickel(II) bromide trihydrate; In N,N-dimethyl-formamide; at 20 - 60 ℃; for 20h; Inert atmosphere;

DOI:10.1055/s-0033-1338520

Reference yield: 80.0%

4-tert-butylpyridine (3978-81-2) → 4,4'-di-tert-butyl-2,2'-bipyridine (72914-19-3)

Guidance literature:

With sodium; In tetrahydrofuran; paraffin oil; at 50 ℃; for 6h;

Reference yield: 78.0%

4-tert-butylpyridine (3978-81-2) → 4,4'-di-tert-butyl-2,2'-bipyridine (72914-19-3) + 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine (115091-29-7)

Guidance literature:

With sodium; In tetrahydrofuran; paraffin oil; at 25 ℃; for 24h;

upstream raw materials:

4-tert-butylpyridine

2,10-di-tert-butyldipyrido[1,2-c;2',1'-e]imidazol-6-one

6-dimethylamino-2,10-di-tert-butyldipyrido[1,2-c;2',1'-e]imidazolium chloride

2-chloro-4-(1,1-dimethylethyl)pyridine

Downstream raw materials:

(4,4'-bis-tert-butyl-2,2'-bipyridyl)Pd(C(O)N(C₆H₅)OC(O))

diphenyl(4,4'-bis(tert-butyl)-2,2'-bipyridine)platinum(II)

bis(p-tolyl)(4,4'-di-tert-butyl-2,2'-bipyridine)platinum(II)

Refernces

• 1、 Awad, Duha Jawad,Schilde, Uwe,Strauch, Peter. "4,4′-Bis(tert-butyl)-2,2′-bipyridinedichlorometal(II) -Synthesis, structure and EPR spectroscopy". . p. 127 - 132. Retrieved 2011.
• 2、 -. "METHOD FOR SYNTHESIZING BIPYRIDINE COMPOUND AND METHOD FOR MANUFACTURING PYRIDINE COMPOUND". Paragraph 0057; 0127-0130. . Retrieved 2018/10/21.
• 3、 -. "MANUFACTURING METHOD OF BIPYRIDYL COMPOUND". Paragraph 0083; 0090; 0091; 0100-0102. . Retrieved 2017/09/16.