4-(4-Methoxyphenyl)-1,2,3-thiadiazole

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)-1,2,3-thiadiazole
• CAS No.: 18212-22-1
• Molecular Formula: C9H8N2OS
• Molecular Weight: 192.241
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID70372307
• Nikkaji Number: J379.403B
• Wikidata: Q82159950
• ChEMBL ID: CHEMBL139589
• Mol file: 18212-22-1.mol

Synonyms:4-(4-Methoxyphenyl)-1,2,3-thiadiazole;18212-22-1;4-(4-methoxyphenyl)thiadiazole;1,2,3-Thiadiazole, 4-(4-methoxyphenyl)-;4-(4-Methoxy-phenyl)-[1,2,3]thiadiazole;1,2,3-Thiadiazole,4-(4-methoxyphenyl)-;HMS562N08;Maybridge1_007510;CHEMBL139589;SCHEMBL4724809;DTXSID70372307;LQNFBURSZLZVSI-UHFFFAOYSA-N;MFCD00052084;(4-methoxyphenyl)-1,2,3-thiadiazole;AKOS015908778;4-(4-Methoxyphenyl)-[1,2,3]thiadiazole;CS-0217448;FT-0616643;F81486;EN300-7461171;10L-072;A849467;J-513532;4-(4-methoxyphenyl)-1,2,3-thiadiazole, AldrichCPR;Z57234450

Chemical Property of 4-(4-Methoxyphenyl)-1,2,3-thiadiazole

Chemical Property:

• Vapor Pressure: 0.000364mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 328.4 °C at 760 mmHg
• Flash Point: 152.4 °C
• PSA: 63.25000
• Density: 1.243 g/cm³
• LogP: 2.21370
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.03573406
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methoxy-phenyl)-[1,2,3]thiadiazole 95%+ ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CSN=N2

Technology Process of 4-(4-Methoxyphenyl)-1,2,3-thiadiazole

There total 13 articles about 4-(4-Methoxyphenyl)-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: 100.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → 4-(4-methoxy-phenyl)-[1,2,3]thiadiazole (18212-22-1)

Guidance literature:

1-(4-methoxyphenyl)ethanone; With polystyrene-sulfonylhydrazide resin; acetic acid; In tetrahydrofuran; at 50 ℃; for 4h;

With thionyl chloride; In 1,2-dichloro-ethane; at 60 ℃; for 5h;

DOI:10.1021/jo981874v

Reference yield: 98.0%

1-(1-(4-methoxyphenyl)ethylidene)-2-tosylhydrazine (32117-52-5) → 4-(4-methoxy-phenyl)-[1,2,3]thiadiazole (18212-22-1)

Guidance literature:

With dipotassium peroxodisulfate; tetra-(n-butyl)ammonium iodide; sulfur; In N,N-dimethyl acetamide; at 100 ℃; for 2h; Sealed tube;

DOI:10.1021/acs.joc.5b02280

Reference yield: 86.0%

C18H27N4O3S(1+)*CF3O3S(1-) (1402671-84-4) → 4-(4-methoxy-phenyl)-[1,2,3]thiadiazole (18212-22-1)

Guidance literature:

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

DOI:10.1021/jo301607a

upstream raw materials:

N-ethoxycarbonyl-(4-methoxyacetophenone)hydrazone

C₁₀H₁₃N₃O₂

1-(4-methoxyphenyl)ethanone

C₁₈H₂₇N₄O₃S⁽¹⁺⁾*CF₃O₃S^(1-)

Downstream raw materials:

1-Ethoxycarbonylthio-2-p-methoxy-phenylethin

N-[4-(4-Methoxy-phenyl)-[1,3]dithiol-(2Z)-ylidene]-4-methyl-benzamide

potassium 2-p-methoxyphenylethynethiolate

(E)-thiokohlensaeure-O-ethyl-S-<2-(4-methoxyphenyl)ethenyl>-diester