5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE

Base Information

• Chemical Name: 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE
• CAS No.: 41421-13-0
• Molecular Formula: C8H5FN2OS
• Molecular Weight: 196.205
• Hs Code.: 2934999090
• Mol file: 41421-13-0.mol

Synonyms:5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol;5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol (IM OCS);

Chemical Property of 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE

Chemical Property:

• Vapor Pressure: 0.0334mmHg at 25°C
• Refractive Index: 1.666
• Boiling Point: 242.7 °C at 760 mmHg
• Flash Point: 100.6 °C
• PSA: 73.91000
• Density: 1.48g/cm³
• LogP: 2.53830

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE

There total 19 articles about 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE 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: 90.0%

carbon disulfide (75-15-0,12122-00-8) + 4-fluorobenzoyl hydrazide (456-06-4) → 2-mercapto-5-(4-fluorophenyl)-1,3,4-oxadiazole (41421-13-0,203268-64-8)

Guidance literature:

With N,N-dimethyl-formamide; for 23h; Sonication; Green chemistry;

DOI:10.1007/s11030-020-10125-y

Reference yield: 87.0%

carbon disulfide (75-15-0,12122-00-8) + 4-fluorobenzoyl hydrazide (456-06-4) → 5-(4-fluorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (41421-13-0)

Guidance literature:

With potassium hydroxide; In ethanol; Reflux;

Reference yield: 83.88%

→ 2-mercapto-5-(4-fluorophenyl)-1,3,4-oxadiazole (41421-13-0,203268-64-8)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 3h; Cooling with ice;

upstream raw materials:

carbon disulfide

4-fluorobenzoyl hydrazide

4-Fluorobenzoic acid

4-fluorobenzoic acid ethyl ester

Downstream raw materials:

3-(4-chloro-anilinomethyl)-5-(4-fluoro-phenyl)-3H-[1,3,4]oxadiazole-2-thione

3-[1-(2-chloro-anilino)-ethyl]-5-(4-fluoro-phenyl)-3H-[1,3,4]oxadiazole-2-thione

3-[1-(2-ethoxy-anilino)-ethyl]-5-(4-fluoro-phenyl)-3H-[1,3,4]oxadiazole-2-thione

2-(p-nitrobenzylthio)-5-(p-fluorophenyl)-1,3,4-oxadiazole

Refernces

• 1、 Yarmohammadi, Elahe,Beyzaei, Hamid,Aryan, Reza,Moradi, Ashraf. "Ultrasound-assisted, low-solvent and acid/base-free synthesis of 5-substituted 1,3,4-oxadiazole-2-thiols as potent antimicrobial and antioxidant agents". . p. 2367 - 2378. Retrieved 2020/08/10.
• 2、 Cao, Xiao,Liu, Fang,Liu, Liwei,Liu, Tingting,Peng, Feng,Wang, Qifan,Xie, Chengwei,Xue, Wei,Yang, Jinsong. "Antibacterial and Antiviral Activities of 1,3,4-Oxadiazole Thioether 4H-Chromen-4-one Derivatives". . p. 11085 - 11094. Retrieved 2021/10/01.