2,4,6-Tri-tert-butylpyridine

Base Information

• Chemical Name: 2,4,6-Tri-tert-butylpyridine
• CAS No.: 20336-15-6
• Molecular Formula: C17H29 N
• Molecular Weight: 247.42
• Hs Code.: 2933399090
• European Community (EC) Number: 626-904-0
• NSC Number: 175797
• DSSTox Substance ID: DTXSID50174245
• Nikkaji Number: J338.079C
• Wikidata: Q83044313
• Mol file: 20336-15-6.mol

Synonyms:2,4,6-tri-tert-butylpyridine

Chemical Property of 2,4,6-Tri-tert-butylpyridine

Chemical Property:

• Vapor Pressure: 0.0164mmHg at 25°C
• Melting Point: 67-71 °C(lit.)
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 115-120 °C20 mm Hg(lit.)
• PKA: 6.92±0.10(Predicted)
• Flash Point: 103.2°C
• PSA: 12.89000
• Density: 0.875g/cm³
• LogP: 4.97410
• Storage Temp.: 2-8°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 247.229999929
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-Tri-tert-butylpyridine 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C
• Uses: 2,4,6-Tritert-butylpyridine is used in the synthesis of acceptors in organic solar cells.

Technology Process of 2,4,6-Tri-tert-butylpyridine

There total 8 articles about 2,4,6-Tri-tert-butylpyridine 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: 86.0%

tert-butyl isocyanide (630-18-2) + 3,3-Dimethylbut-1-yne (917-92-0) → 2,4,6-tri-tertbutylpyridine (20336-15-6)

Guidance literature:

(η5-cyclopentadienyl)-η4-cycloocta-1,5-dienecobalt(I); at 25 ℃; Irradiation;

DOI:10.1021/jo011032n

Reference yield:

tert-butyl isocyanide (630-18-2) → 2,4,6-tri-tertbutylpyridine (20336-15-6)

Guidance literature:

Multi-step reaction with 3 steps

1: pentane

3: pyridine-N-oxide

With pyridine-N-oxide; In pentane;

Reference yield:

(((CH3)2CH)2C6H3O)2Cl(Ta(C(C(CH3)3)CHCHC(C(CH3)3))) (125950-49-4) → 2,4,6-tri-tertbutylpyridine (20336-15-6)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene

2: pentane

4: pyridine-N-oxide

With pyridine-N-oxide; In toluene; pentane;

upstream raw materials:

tert-butyl isocyanide

3,3-Dimethylbut-1-yne

(2,6-diisopropylphenoxy)2Cl(tantalum)(η2-(N,C)-2,4,6-tri-tert-butylpyridine)

(((CH₃)2CH)2C₆H₃O)2Cl(Ta(C(C(CH₃)3)CHCHC(C(CH₃)3)))

Downstream raw materials:

[H₂B(C₆F₅)]2

[(2,4,6-tri-tert-butylpyridineH)][HB(C₆F₅)3]