4-Fluoro-2-methylthiophenol

Base Information

• Chemical Name: 4-Fluoro-2-methylthiophenol
• CAS No.: 845823-04-3
• Molecular Formula: C7H7FS
• Molecular Weight: 142.197
• Hs Code.: 2930909090
• European Community (EC) Number: 675-541-4
• DSSTox Substance ID: DTXSID90374621
• Nikkaji Number: J3.085.266D
• Wikidata: Q72475038
• Mol file: 845823-04-3.mol

Synonyms:4-Fluoro-2-methylthiophenol;4-fluoro-2-methylbenzenethiol;845823-04-3;4-fluoro-2-methylbenzene-1-thiol;4-fluoro-2-methyl-benzenethiol;5-Fluoro-2-thiotoluene;2-Methyl-4-fluorobenzenethiol;SCHEMBL8406227;DTXSID90374621;MFCD06201800;AKOS005073189;AM82856;KB-0733;CS-0153180;FT-0689567;E81952;EN300-128356

Chemical Property of 4-Fluoro-2-methylthiophenol

Chemical Property:

• Boiling Point: 186.7 °C at 760 mmHg
• Flash Point: 68.7 °C
• PSA: 38.80000
• Density: 1.16 g/cm³
• LogP: 2.42280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.02524956
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-2-methylthiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)F)S

Technology Process of 4-Fluoro-2-methylthiophenol

There total 2 articles about 4-Fluoro-2-methylthiophenol 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: 84.0%

4-fluoro-2-methylbenzene-1-sulphonyl chloride (7079-48-3) → 4-fluoro-2-methylbenzenethiol (845823-04-3)

Guidance literature:

With formic acid; 6% Pd/C; triphenylphosphine; at 60 ℃; for 8h;

DOI:10.1080/17415993.2012.654392

Reference yield: 72.0%

4-fluoro-2-methyl-1-benzenesulfonamide (489-17-8) → 4-fluoro-2-methylbenzenethiol (845823-04-3)

Guidance literature:

With ammonium formate; at 100 - 200 ℃; for 7h; neat (no solvent);

DOI:10.1080/00397911.2011.559317

Reference yield: 100.0%

4-fluoro-2-methylbenzenethiol (845823-04-3) + ethyl bromoacetate (105-36-2) → ethyl 2-((4-fluoro-2-methylphenyl)thio)acetate

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Inert atmosphere;

upstream raw materials:

4-fluoro-2-methylbenzene-1-sulphonyl chloride

4-fluoro-2-methyl-1-benzenesulfonamide

Refernces

• 1、 Zhou, Shaodong,Qian, Chao,Chen, Xinzhi. "Solvent-free synthesis of thiophenol using uncatalyzed transfer hydrogenation". experimental part. p. 2432 - 2439. Retrieved 2012/06/18.