2-(4-Methoxyphenyl)-5-methyl-1,3,4-thiadiazole

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-5-methyl-1,3,4-thiadiazole
• CAS No.: 25877-48-9
• Molecular Formula: C₁₀H₁₀N₂OS
• Molecular Weight: 206.268
• DSSTox Substance ID: DTXSID501249868

Synonyms:2-(4-methoxyphenyl)-5-methyl-1,3,4-thiadiazole;SCHEMBL13912997;DTXSID501249868;AKOS005400004;25877-48-9

Chemical Property of 2-(4-Methoxyphenyl)-5-methyl-1,3,4-thiadiazole

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.05138412
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN=C(S1)C2=CC=C(C=C2)OC

Technology Process of 2-(4-Methoxyphenyl)-5-methyl-1,3,4-thiadiazole

There total 4 articles about 2-(4-Methoxyphenyl)-5-methyl-1,3,4-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: 77.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 4-methoxy-thiobenzoic acid hydrazide (62625-55-2) → 2-methyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole (25877-48-9)

Guidance literature:

With potassium hydrogensulfate; at 100 ℃; for 5h;

DOI:10.1016/j.tetlet.2020.152195

Reference yield: 77.0%

→ 2-methyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole (25877-48-9)

Guidance literature:

With potassium hydrogensulfate; at 100 ℃; for 6h;

Reference yield: 40.0%

4-methoxy-thiobenzoic acid hydrazide (62625-55-2) + thioacetamide (62-55-5) → 2,5-Bis-<4-methoxy-phenyl>-1,3,4-thiadiazol (17453-03-1) + 2-methyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole (25877-48-9)

Guidance literature:

With tert-butylhypochlorite; In dichloromethane; at -70 - -55 ℃; for 0.333333h;

DOI:10.1007/BF00956957

upstream raw materials:

4-methoxy-thiobenzoic acid hydrazide

thioacetamide

2-((4-methoxyphenylcarbonothioyl)thio)acetic acid

N,N-dimethyl acetamide

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