5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 57295-83-7
• Molecular Formula: C10H11N3OS
• Molecular Weight: 221.283
• European Community (EC) Number: 859-979-5
• Mol file: 57295-83-7.mol

Synonyms:5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol;57295-83-7;3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione;5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thiol;SCHEMBL1104413;HMS1727G14;MFCD01907084;STK199526;AKOS000100194;AKOS000273961;LS-01257;BB 0217286;EU-0012765;EN300-08999;AF-872/30552008;SR-01000500476;SR-01000500476-1;Z55992912;5-(4-Methoxyphenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol;5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide;3-(4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-[1,2,4]TRIAZOLE-5-thione;5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;3-(4-METHOXYPHENYL)-4-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE

Chemical Property of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• PSA: 74.93000
• LogP: 2.15330
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.06228316
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NNC1=S)C2=CC=C(C=C2)OC

Technology Process of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

There total 4 articles about 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol 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: 63.0%

2-(4-methoxybenzoyl)-N-methylhydrazine-1-carbothioamide (154106-04-4) → 5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (57295-83-7)

Guidance literature:

With sodium hydroxide; In water; at 150 ℃; for 0.05h; Microwave irradiation;

DOI:10.1021/acschembio.8b01123

Reference yield:

4-methoxybenzoic acid hydrazide (3290-99-1) → 5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (57295-83-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / tetrahydrofuran / 2 h / Heating

2: 62 percent / 1M aq. NaHCO₃ / 24 h / Heating

With sodium hydrogencarbonate; In tetrahydrofuran;

Reference yield:

4-methoxybenzoic acid hydrazide (3290-99-1) + methyl thioisocyanate (556-61-6) → 5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (57295-83-7)

Guidance literature:

4-methoxybenzoic acid hydrazide; methyl thioisocyanate; In ethanol; at 80 ℃; for 3h;

With sodium hydroxide; at 100 ℃; for 4h;

DOI:10.3390/molecules26226948

upstream raw materials:

2-(4-methoxybenzoyl)-N-methylhydrazine-1-carbothioamide

4-methoxybenzoic acid hydrazide

4-methoxy-benzoyl chloride

methyl thioisocyanate

Downstream raw materials:

3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole

(6R,7R)-7-Amino-3-[5-(4-methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-[5-(4-methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 57295-83-7 5-(4-METHOXYPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL

Send

Send

Metric Ton KG G Pound L ML

Send

Send