4-(1,2,3-Thiadiazol-4-Yl)Phenol

Base Information

• Chemical Name: 4-(1,2,3-Thiadiazol-4-Yl)Phenol
• CAS No.: 59834-05-8
• Molecular Formula: C8H6N2OS
• Molecular Weight: 178.214
• Hs Code.: 29349990
• European Community (EC) Number: 674-370-2
• DSSTox Substance ID: DTXSID90383859
• Nikkaji Number: J2.743.330H
• Wikidata: Q72508193
• Mol file: 59834-05-8.mol

Synonyms:4-(1,2,3-Thiadiazol-4-Yl)Phenol;59834-05-8;4-(thiadiazol-4-yl)phenol;4-(1,2,3-thiadiazol-4-yl)-phenol;4-(4-Hydroxyphenyl)-1,2,3-thiadiazole;4-(4-thiadiazolyl)phenol;Bionet2_000865;SCHEMBL1673852;DTXSID90383859;WZYGGUZFRLVCJT-UHFFFAOYSA-N;HMS1366H07;4-[1,2,3]Thiadiazol-4-ylphenol;4-[1,2,3]thiadiazol-4-yl-phenol;MFCD00052106;4-[1,2,3]-thiadiazol-4-yl-phenol;AKOS006229403;4-(4-hydroxyphenyl)1,2,3-thiadiazole;4-(4-hydroxyphenyl)1,2,3-thia-diazole;CS-0222377;FT-0616446;EN300-110983;10L-018;A832494;F2145-0454;Z1201618245

Chemical Property of 4-(1,2,3-Thiadiazol-4-Yl)Phenol

Chemical Property:

• Vapor Pressure: 3.28E-05mmHg at 25°C
• Refractive Index: 1.653
• Boiling Point: 344.5 °C at 760 mmHg
• Flash Point: 162.2 °C
• PSA: 74.25000
• Density: 1.38 g/cm³
• LogP: 1.91070
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.02008399
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%Min ^*data from raw suppliers

4-(1,2,3-Thiadiazol-4-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSN=N2)O

Technology Process of 4-(1,2,3-Thiadiazol-4-Yl)Phenol

There total 7 articles about 4-(1,2,3-Thiadiazol-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: 94.0%

4-(4-methoxy-phenyl)-[1,2,3]thiadiazole (18212-22-1) → 4-(4'-hydroxyphenyl)-1,2,3-thiadiazole (59834-05-8)

Guidance literature:

With boron tribromide; In dichloromethane;

Reference yield: 85.0%

N'-[1-(4-hydroxy-phenyl)-ethylidene]-hydrazinecarboxylic acid ethyl ester (59834-03-6) → 4-(4'-hydroxyphenyl)-1,2,3-thiadiazole (59834-05-8)

Guidance literature:

With thionyl chloride; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2009.01.007

Reference yield: 84.0%

C15H16N2O3S (543710-24-3) → 4-(4'-hydroxyphenyl)-1,2,3-thiadiazole (59834-05-8)

Guidance literature:

With ammonium iodide; 7,8-dimethyl-1,10-ethyleneisoalloxazine chloride; oxygen; sulfur; In pyridine; N,N-dimethyl acetamide; at 100 ℃; for 8h; under 760.051 Torr; chemoselective reaction; Green chemistry;

DOI:10.1021/acscatal.7b01535

upstream raw materials:

4-Hydroxyacetophenone

4-(4-methoxy-phenyl)-[1,2,3]thiadiazole

N'-[1-(4-hydroxy-phenyl)-ethylidene]-hydrazinecarboxylic acid ethyl ester

4-hydroxyacetophenone semicarbazone

Downstream raw materials:

4-(4'-N-Methylcarbamoyloxyphenyl)-1,2,3-thiadiazole

n-hexylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)phenyl ester

dodecylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)phenyl ester

cyclopentylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)phenyl ester

Refernces

• 1、 Gadhave,Gaikar,Kuchekar,Karale. "Synthesis and antimicrobial activity of some novel [4-(1,2,3-thiadiazol-4-yl) phenoxy]methylene anchored 1,3,4-triazoles and 1,3,4-thiadiazoles". . p. 1849 - 1855. Retrieved 2015/01/09.
• 2、 Al-Smadi, Mousa,Hanold, Norbert,Kalbitz, Helga,Meier, Herbert. "1,2,3-Thiadiazoles with unsaturated side chains; synthesis, polymerization, and photocrosslinking". experimental part. p. 2539 - 2546. Retrieved 2009/12/08.