4-(4-NITROPHENYL)-1,2,3-THIADIAZOLE

Base Information

• Chemical Name: 4-(4-NITROPHENYL)-1,2,3-THIADIAZOLE
• CAS No.: 82894-98-2
• Molecular Formula: C8H5N3O2S
• Molecular Weight: 207.21
• Hs Code.: 29349990
• Mol file: 82894-98-2.mol

Synonyms:BUTTPARK 52\06-88;4-(4-NITROPHENYL)-1,2,3-THIADIAZOLE;TIMTEC-BB SBB010

Chemical Property of 4-(4-NITROPHENYL)-1,2,3-THIADIAZOLE

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 1.39E-05mmHg at 25°C
• Melting Point: 207-211 °C(lit.)
• Refractive Index: 1.649
• Boiling Point: 378.3 °C at 760 mmHg
• PKA: -5.01±0.27(Predicted)
• Flash Point: 182.6 °C
• PSA: 99.84000
• Density: 1.454 g/cm³
• LogP: 2.63650
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Nitrophenyl)-1,2,3-thiadiazole ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-(4-NITROPHENYL)-1,2,3-THIADIAZOLE

There total 8 articles about 4-(4-NITROPHENYL)-1,2,3-THIADIAZOLE 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: 83.0%

C17H24N5O4S(1+)*CF3O3S(1-) (1402672-05-2) → 4-(p-nitrophenyl)-1,2,3-thiadiazole (82894-98-2)

Guidance literature:

With thionyl chloride; at 20 - 60 ℃; for 4h;

DOI:10.1021/jo301607a

Reference yield: 71.0%

N′-(2-bromo-1-(4-nitrophenyl)ethylidene)benzohydrazide → 4-(p-nitrophenyl)-1,2,3-thiadiazole (82894-98-2)

Guidance literature:

With potassium tert-butylate; oxygen; potassium thioacyanate; epi-Cercosporin; In acetonitrile; at 20 ℃; for 16h; Schlenk technique; Irradiation; Green chemistry;

DOI:10.1021/acs.joc.9b00545

Reference yield: 49.0%

4-(p-nitrophenyl)-1,2,3-thiadiazole-5-carbaldehyde (130747-35-2) → 4-(p-nitrophenyl)-1,2,3-thiadiazole (82894-98-2)

Guidance literature:

With sodium hydroxide; for 0.25h; Ambient temperature;

upstream raw materials:

4-(p-nitrophenyl)-1,2,3-thiadiazole-5-carbaldehyde

C₉H₁₀N₄O₃

5-Methyl-4-(4-nitro-phenyl)-[1,2,3]thiadiazole

5-bromomethyl-4-(p-nitrophenyl)-1,2,3-thiadiazole

Downstream raw materials:

2-phenylimino-4-p-nitrophenyl-1,3-thiaselenole

Refernces

• 1、 Kumar, Anil,Muthyala, Manoj Kumar,Choudhary, Sunita,Tiwari, Rakesh K.,Parang, Keykavous. "Ionic liquid as soluble support for synthesis of 1,2,3-thiadiazoles and 1,2,3-selenadiazoles". . p. 9391 - 9396,6. Retrieved 2012/12/11.
• 2、 Butler, Richard N.,O'Donoghue, Denis A.. "Kinetics and Mechanism of the Reaction of Thionyl Chloride with Substituted Acetophenone Semicarbazones. The Synthesis of 1,2,3-Thiadiazoles". . p. 1223 - 1228. Retrieved 2007/10/02.