2-Methyl-6-[4-(methylsulfonyl)phenoxy]-3-pyridinecarbonitrile

Base Information

• Chemical Name: 2-Methyl-6-[4-(methylsulfonyl)phenoxy]-3-pyridinecarbonitrile
• CAS No.: 1150100-45-0
• Molecular Formula: C14H12N2O3S
• Molecular Weight: 288.327
• DSSTox Substance ID: DTXSID80697098
• Wikidata: Q72493093
• Mol file: 1150100-45-0.mol

Synonyms:1150100-45-0;2-methyl-6-(4-(methylsulfonyl)phenoxy)nicotinonitrile;2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile;2-METHYL-6-[4-(METHYLSULFONYL)PHENOXY]-3-PYRIDINECARBONITRILE;SCHEMBL4094619;DTXSID80697098;A2350;6-[4-(Methanesulfonyl)phenoxy]-2-methylpyridine-3-carbonitrile

Chemical Property of 2-Methyl-6-[4-(methylsulfonyl)phenoxy]-3-pyridinecarbonitrile

Chemical Property:

• Boiling Point: 488.0±45.0 °C(Predicted)
• PKA: -0.79±0.22(Predicted)
• PSA: 88.43000
• Density: 1.36
• LogP: 3.53828
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 288.05686342
• Heavy Atom Count: 20
• Complexity: 468

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=N1)OC2=CC=C(C=C2)S(=O)(=O)C)C#N

Technology Process of 2-Methyl-6-[4-(methylsulfonyl)phenoxy]-3-pyridinecarbonitrile

There total 1 articles about 2-Methyl-6-[4-(methylsulfonyl)phenoxy]-3-pyridinecarbonitrile 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: 78.0%

4-methanesulfonyl-phenol (14763-60-1) + 6-chloro-2-methyl-3-pyridinecarbonitrile (66909-36-2) → 2-methyl-6-{[4-(methylsulfonyl)phenyl]oxy}-3-pyridinecarbonitrile (1150100-45-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 85.0%

2-methyl-6-{[4-(methylsulfonyl)phenyl]oxy}-3-pyridinecarbonitrile (1150100-45-0) → 2-methyl-6-{[4-(methylsulfonyl)phenyl]oxy}-3-pyridinecarbaldehyde (1150100-46-1)

Guidance literature:

2-methyl-6-{[4-(methylsulfonyl)phenyl]oxy}-3-pyridinecarbonitrile; With diisobutylaluminium hydride; In dichloromethane; at -40 - -35 ℃; for 0.333333h;

With methanol; water; citric acid; In dichloromethane; at 20 ℃; for 6h;

With sodium hydrogencarbonate; In methanol; dichloromethane;

upstream raw materials:

4-methanesulfonyl-phenol

6-chloro-2-methyl-3-pyridinecarbonitrile

Downstream raw materials:

2-methyl-6-{[4-(methylsulfonyl)phenyl]oxy}-3-pyridinecarbaldehyde

Refernces