2-(4-Methylbenzene-1-sulfinyl)pyridine

Base Information

• Chemical Name: 2-(4-Methylbenzene-1-sulfinyl)pyridine
• CAS No.: 116248-64-7
• Molecular Formula: C12H11NOS
• Molecular Weight: 217.291
• DSSTox Substance ID: DTXSID80567707
• Nikkaji Number: J2.166.840K
• Mol file: 116248-64-7.mol

Synonyms:116248-64-7;2-(4-Methylbenzene-1-sulfinyl)pyridine;DTXSID80567707

Chemical Property of 2-(4-Methylbenzene-1-sulfinyl)pyridine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.05613515
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)C2=CC=CC=N2

Technology Process of 2-(4-Methylbenzene-1-sulfinyl)pyridine

There total 3 articles about 2-(4-Methylbenzene-1-sulfinyl)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: 91.0%

2-(p-tolylthio)pyridine (51954-54-2) → 2-[(4-methylphenylsulfinyl)]pyridine (116248-64-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

DOI:10.1002/adsc.201000941

Reference yield: 63.0%

3-[(4-methylphenyl)sulfinyl]propanoic acid tert-butyl ester (911820-09-2) + 2-bromo-pyridine (109-04-6) → [2,2]bipyridinyl (366-18-7) + 2-[(4-methylphenylsulfinyl)]pyridine (116248-64-7)

Guidance literature:

With potassium hydroxide; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; Heating;

DOI:10.1016/j.tetlet.2007.07.165

Reference yield:

2-bromo-pyridine (109-04-6) + para-thiocresol (106-45-6) → 2-[(4-methylphenylsulfinyl)]pyridine (116248-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 10 h / 100 °C

2: 2-Chlorothioxanthone / 20 °C / Irradiation; Sealed tube

With 2-Chlorothioxanthone; In water;

DOI:10.1016/j.tetlet.2021.153376

upstream raw materials:

3-[(4-methylphenyl)sulfinyl]propanoic acid tert-butyl ester

2-bromo-pyridine

2-(p-tolylthio)pyridine

para-thiocresol

Downstream raw materials:

(R)-(S)-2,3-bis(p-tolylsulfinyl)pyridine

(S)-(S)-2,3-bis(p-tolylsulfinyl)pyridine

(S)-(+)-2-[(4'-methylphenyl)sulfinyl]pyridine

(R)-(-)-2-[(4'-methylphenyl)sulfinyl]pyridine