4-Fluoro-4'-(methylthio)benzhydrol

Base Information

• Chemical Name: 4-Fluoro-4'-(methylthio)benzhydrol
• CAS No.: 1510-48-1
• Molecular Formula: C₁₄H₁₃FOS
• Molecular Weight: 248.321
• Hs Code.: 2930909090
• European Community (EC) Number: 675-404-9
• DSSTox Substance ID: DTXSID20374619
• Mol file: 1510-48-1.mol

Synonyms:4-Fluoro-4'-(methylthio)benzhydrol;1510-48-1;(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol;4-Fluoro-4/'-(methylthio)benzhydrol;DTXSID20374619;AKOS017560115;(4-fluorophenyl)(4-(methylthio)phenyl)methanol;J-008774

Chemical Property of 4-Fluoro-4'-(methylthio)benzhydrol

Chemical Property:

• PSA: 45.53000
• LogP: 3.62930
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 248.06711437
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

4-FLUORO-4'-(METHYLTHIO)BENZHYDROL ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)F)O

Technology Process of 4-Fluoro-4'-(methylthio)benzhydrol

There total 2 articles about 4-Fluoro-4'-(methylthio)benzhydrol 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-bromophenyl)thioanisole (104-95-0) + 4-fluorobenzaldehyde (459-57-4) → 4-fluoro-4'-methylsulfanyl-benzhydrol (1510-48-1)

Guidance literature:

(4-bromophenyl)thioanisole; With sec.-butyllithium; In tetrahydrofuran; toluene; at 25 ℃; for 0.0166667h; Inert atmosphere;

4-fluorobenzaldehyde; at 25 ℃; Solvent; Time; Inert atmosphere;

DOI:10.1002/chem.202102805

Reference yield:

4’-(methylthio)phenyl(4’-fluorophenyl)methanone (724-88-9) → 4-fluoro-4'-methylsulfanyl-benzhydrol (1510-48-1)

Guidance literature:

With aluminum isopropoxide; isopropyl alcohol;

upstream raw materials:

4’-(methylthio)phenyl(4’-fluorophenyl)methanone

(4-bromophenyl)thioanisole

4-fluorobenzaldehyde

Refernces