3-Fluoro-5-[4-(methylsulfanyl)oxan-4-yl]phenol

Base Information

• Chemical Name: 3-Fluoro-5-[4-(methylsulfanyl)oxan-4-yl]phenol
• CAS No.: 139368-13-1
• Molecular Formula: C12H15FO2S
• Molecular Weight: 242.314
• DSSTox Substance ID: DTXSID30596481
• Wikidata: Q82491744
• Mol file: 139368-13-1.mol

Synonyms:139368-13-1;3-Fluoro-5-[4-(methylsulfanyl)oxan-4-yl]phenol;SCHEMBL8694739;DTXSID30596481;QCMUFYAKUCKNEC-UHFFFAOYSA-N;4-(3-hydroxy-5-fluorophenyl)-4-methylthio-3,4,5,6-tetrahydro-2H-pyran

Chemical Property of 3-Fluoro-5-[4-(methylsulfanyl)oxan-4-yl]phenol

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 242.07767905
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1(CCOCC1)C2=CC(=CC(=C2)F)O

Technology Process of 3-Fluoro-5-[4-(methylsulfanyl)oxan-4-yl]phenol

There total 1 articles about 3-Fluoro-5-[4-(methylsulfanyl)oxan-4-yl]phenol 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:

methylthiol (74-93-1) + 4-(3-Benzyloxy-5-fluorophenyl)-4-hydroxytetrahydropyran (130723-10-3) → 4-(3-hydroxy-5-fluorophenyl)-4-methylthio-3,4,5,6-tetrahydro-2H-pyran (139368-13-1)

Guidance literature:

With boron trifluoride; trifluoroacetic acid; In diethyl ether;

DOI:10.1021/jm0303554

Reference yield: 94.0%

4-(3-hydroxy-5-fluorophenyl)-4-methylthio-3,4,5,6-tetrahydro-2H-pyran (139368-13-1) → 4-(3-fluoro-5-hydroxyphenyl)-4-methylsulfinyl-3,4,5,6-tetrahydro-2H-pyran (167758-68-1)

Guidance literature:

With sodium periodate; In methanol; at 20 ℃; for 2h;

DOI:10.1021/jm0303554

Reference yield: 81.0%

4-(3-hydroxy-5-fluorophenyl)-4-methylthio-3,4,5,6-tetrahydro-2H-pyran (139368-13-1) → 4-(5-hydroxy-3-fluorophenyl)-4-methylsulfonyl-3,4,5,6-tetrahydro-2H-pyran (167758-69-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃;

DOI:10.1021/jm0303554

upstream raw materials:

methylthiol

4-(3-Benzyloxy-5-fluorophenyl)-4-hydroxytetrahydropyran

Downstream raw materials:

4-(3-fluoro-5-hydroxyphenyl)-4-methylsulfinyl-3,4,5,6-tetrahydro-2H-pyran

4-(5-hydroxy-3-fluorophenyl)-4-methylsulfonyl-3,4,5,6-tetrahydro-2H-pyran

4-[5-fluoro-3-(1-methyl-2-oxo-1,2-dihydroquinolin-6-ylmethoxy)phenyl]-4-methylthiotetrahydropyran