2-(4-tert-Butylbenzoyl)pyridine

Base Information

• Chemical Name: 2-(4-tert-Butylbenzoyl)pyridine
• CAS No.: 157592-45-5
• Molecular Formula: C16H17NO
• Molecular Weight: 239.31200
• DSSTox Substance ID: DTXSID90442137
• Nikkaji Number: J3.456.753K
• Wikidata: Q82259247
• Mol file: 157592-45-5.mol

Synonyms:2-(4-tert-Butylbenzoyl)pyridine;157592-45-5;(4-tert-butylphenyl)-pyridin-2-ylmethanone;MFCD07699248;DTXSID90442137;4-tert-Butylphenyl 2-pyridyl ketone;2-(4-T-BUTYLBENZOYL)PYRIDINE;AKOS011839298;CS-0337049;(4-(Tert-butyl)phenyl)(pyridin-2-yl)methanone

Chemical Property of 2-(4-tert-Butylbenzoyl)pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 364.108oC at 760 mmHg
• PKA: 3.06±0.10(Predicted)
• Flash Point: 181.666oC
• PSA: 29.96000
• Density: 1.052g/cm3
• LogP: 3.61010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 239.131014166
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

95% ^*data from raw suppliers

2-(4-tert-Butylbenzoyl)pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=N2

Technology Process of 2-(4-tert-Butylbenzoyl)pyridine

There total 4 articles about 2-(4-tert-Butylbenzoyl)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: 71.0%

pyridine (110-86-1) + p-tert-butylbenzyl alcohol (877-65-6) → (4-tert-butylphenyl)(pyridin-2-yl)methanone (157592-45-5)

Guidance literature:

With dipotassium peroxodisulfate; In water; at 120 ℃; for 18h; regioselective reaction; Green chemistry;

DOI:10.1016/j.tet.2017.01.039

Reference yield:

(4-(tert-butyl)phenyl)(pyridin-2-yl)methanol (1356845-37-8) → (4-tert-butylphenyl)(pyridin-2-yl)methanone (157592-45-5)

Guidance literature:

With cobalt(II) diacetate tetrahydrate; In 1,4-dioxane; at 50 ℃; for 5.5h; chemoselective reaction;

DOI:10.1021/om500003d

Reference yield:

2-bromo-pyridine (109-04-6) + 4-tert-butylbenzyl cyanide (3288-99-1) → (4-tert-butylphenyl)(pyridin-2-yl)methanone (157592-45-5) + (4-tert-Butyl-phenyl)-pyridin-2-yl-acetonitrile

Guidance literature:

With potassium tert-butylate; Multistep reaction; 1.) THF, RT, 0.5 h, 2.) THF, a) RT, 1 h, b) reflux, overnight;

DOI:10.1021/jm950697c

upstream raw materials:

2-Cyanopyridine

1-bromo-4-tert-butylbenzene

2-bromo-pyridine

4-tert-butylbenzyl cyanide

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