2,4-Bis(t-butyl)pyridine

Base Information

• Chemical Name: 2,4-Bis(t-butyl)pyridine
• CAS No.: 29939-31-9
• Molecular Formula: C13H21 N
• Molecular Weight: 191.316
• DSSTox Substance ID: DTXSID70184043
• Nikkaji Number: J88.638F
• Wikidata: Q83054917
• Mol file: 29939-31-9.mol

Synonyms:2,4-Bis(t-butyl)pyridine;29939-31-9;2,4-di-tert-butylpyridine;Pyridine, 2,4-di(t-butyl)-;2,4-di-t-butylpyridine;SCHEMBL278964;DTXSID70184043;AB92874;Pyridine, 2,4-bis(1,1-dimethylethyl)-

Chemical Property of 2,4-Bis(t-butyl)pyridine

Chemical Property:

• Vapor Pressure: 0.0715mmHg at 25°C
• Boiling Point: 236.7°Cat760mmHg
• Flash Point: 86.6°C
• PSA: 12.89000
• Density: 0.885g/cm³
• LogP: 3.67660
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NC=C1)C(C)(C)C

Technology Process of 2,4-Bis(t-butyl)pyridine

There total 8 articles about 2,4-Bis(t-butyl)pyridine 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: 55.0%

4-tert-butylpyridine N-oxide (23569-17-7) + pivaloyl chloride (3282-30-2) → 2,4-di-tert-butylpyridine (29939-31-9)

Guidance literature:

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In acetonitrile; at 24 ℃; for 12h; Irradiation;

DOI:10.1021/acs.orglett.8b01250

Reference yield: 23.0%

tert-butylmercury chloride (38442-51-2) + 1-Methoxypyridinium iodide (22581-65-3) → 4-tert-butylpyridine (3978-81-2) + 2-tert-butylpyridine (5944-41-2) + 2,4-di-tert-butylpyridine (29939-31-9)

Guidance literature:

With potassium iodide; In dimethyl sulfoxide; at 35 - 40 ℃; for 0.5h; Irradiation;

DOI:10.1021/jo00122a013

Reference yield:

4-tert-butylpyridine (3978-81-2) → 2,4-di-tert-butylpyridine (29939-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 24 °C

1.2: 4 h

2.1: (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate / acetonitrile / 12 h / 24 °C / Irradiation

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetonitrile;

DOI:10.1021/acs.orglett.8b01250

upstream raw materials:

4,6-Di-tert-butyl-2-picolinic acid

tert-butylmercury chloride

1-Methoxypyridinium iodide

4-tert-butylpyridine