4-[3-Fluoro-5-(methylthio)phenyl]tetrahydro-2H-pyran-4-carbonitrile

Base Information

• Chemical Name: 4-[3-Fluoro-5-(methylthio)phenyl]tetrahydro-2H-pyran-4-carbonitrile
• CAS No.: 179421-08-0
• Molecular Formula: C₁₃H₁₄FNOS
• Molecular Weight: 251.325
• DSSTox Substance ID: DTXSID601162994

Synonyms:SCHEMBL7808956;XVUHZMRCDFIRJV-UHFFFAOYSA-N;DTXSID601162994;4-[3-Fluoro-5-(methylthio)phenyl]tetrahydro-2H-pyran-4-carbonitrile;179421-08-0;4-Cyano-4-(5-fluoro-3-methylthiophenyl)-3,4,5,6-tetrahydro-2H-pyran

Chemical Property of 4-[3-Fluoro-5-(methylthio)phenyl]tetrahydro-2H-pyran-4-carbonitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 251.07801341
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC(=CC(=C1)F)C2(CCOCC2)C#N

Technology Process of 4-[3-Fluoro-5-(methylthio)phenyl]tetrahydro-2H-pyran-4-carbonitrile

There total 2 articles about 4-[3-Fluoro-5-(methylthio)phenyl]tetrahydro-2H-pyran-4-carbonitrile 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:

4-cyano-4-(3,5-difluorophenyl)-3,4,5,6-tetrahydro-2H-pyran (179421-07-9) → 4-cyano-4-(5-fluoro-3-methylthiophenyl)-3,4,5,6-tetrahydro-2H-pyran (179421-08-0)

Guidance literature:

In N,N-dimethyl-formamide; mineral oil;

Reference yield:

methylthiol (74-93-1) + 4-cyano-4-(3,5-difluorophenyl)-3,4,5,6-tetrahydro-2H-pyran (179421-07-9) → 4-cyano-4-(5-fluoro-3-methylthiophenyl)-3,4,5,6-tetrahydro-2H-pyran (179421-08-0)

Guidance literature:

methylthiol; With sodium hydride; In N,N-dimethyl-formamide;

4-cyano-4-(3,5-difluorophenyl)-3,4,5,6-tetrahydro-2H-pyran; In N,N-dimethyl-formamide; at 100 ℃; for 22h;

DOI:10.1248/cpb.53.965

Reference yield:

4-cyano-4-(5-fluoro-3-methylthiophenyl)-3,4,5,6-tetrahydro-2H-pyran (179421-08-0) → 4-cyano-4-(5-fluoro-3-methylsulfinylphenyl)-3,4,5,6-tetrahydro-2H-pyran (179421-09-1)

Guidance literature:

With sodium periodate; In methanol; at 0 ℃; for 1h;

DOI:10.1248/cpb.53.965

upstream raw materials:

methylthiol

4-cyano-4-(3,5-difluorophenyl)-3,4,5,6-tetrahydro-2H-pyran

Downstream raw materials:

4-cyano-4-(5-fluoro-3-methylsulfinylphenyl)-3,4,5,6-tetrahydro-2H-pyran

4-cyano-4-(5-fluoro-3-mercaptophenyl)-3,4,5,6-tetrahydro-2H-pyran

4-cyano-4-{5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)phenylthio]phenyl}-3,4,5,6-tetrahydro-2H-pyran

4-{5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)phenylthio]phenyl}-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide

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