4-amino-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-amino-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 93073-14-4
• Molecular Formula: C10H12 N4 O S
• Molecular Weight: 236.297
• Hs Code.: 2933990090
• European Community (EC) Number: 824-911-5
• DSSTox Substance ID: DTXSID90356402
• Wikidata: Q82135715
• ChEMBL ID: CHEMBL571310
• Mol file: 93073-14-4.mol

Synonyms:4-amino-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol;93073-14-4;4-amino-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione;4-amino-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol;4-amino-5-(4-methoxybenzyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione;Oprea1_344398;Oprea1_830323;CHEMBL571310;DTXSID90356402;MFCD00698741;STK519277;STL151198;AKOS000295869;AKOS005751285;LS-05970;CS-0221587;EN300-09530;Z56979373;4-amino-3-(4-methoxybenzyl)-1h-1,2,4-triazole-5 (4h)-thione;4-Amino-5-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-amino-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 6.1E-06mmHg at 25°C
• Boiling Point: 378.9°Cat760mmHg
• Flash Point: 182.9°C
• PSA: 104.76000
• Density: 1.4g/cm³
• LogP: 1.46120
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.07318219
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2=NNC(=S)N2N

Technology Process of 4-amino-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

There total 11 articles about 4-amino-5-(4-methoxybenzyl)-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: 79.0%

5-(4-methoxybenzyl)-4-amino-1,3,4-oxadiazole-2-thiol (93073-37-1) → 4-amino-3-(p-methoxybenzyl)-5-mercapto-1,2,4-triazole (93073-14-4)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

Reference yield: 79.0%

4-Methoxyphenylacetic acid (104-01-8) + Thiocarbohydrazide (2231-57-4) → 4-amino-3-(4-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-thione (93073-14-4)

Guidance literature:

at 160 - 170 ℃; for 0.5h; Neat (no solvent);

DOI:10.1016/j.ejmech.2009.06.026

Reference yield: 75.0%

carbon disulfide (75-15-0,12122-00-8) + 2-(4-methoxyphenyl)acetic acid hydrazide (57676-49-0) → 4-amino-3-(4-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-thione (93073-14-4)

Guidance literature:

carbon disulfide; 2-(4-methoxyphenyl)acetic acid hydrazide; With potassium hydroxide; In methanol; Reflux;

With hydrazine hydrate; In water; Reflux;

upstream raw materials:

5-(4-methoxybenzyl)-4-amino-1,3,4-oxadiazole-2-thiol

4-Methoxyphenylacetic acid

4-methoxy-phenyl acetic acid methyl ester

2-(4-methoxyphenyl)acetic acid hydrazide

Downstream raw materials:

5-(p-methoxybenzyl)-2-phenyl-s-triazolo<3,4-b>-1,3,4-thiadiazole

6-(4-Chloro-phenyl)-3-(4-methoxy-benzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(4-methoxybenzyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(4-methoxyphenylmethyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine