3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)-

Base Information

• Chemical Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)-
• CAS No.: 4413-40-5
• Molecular Formula: C9H8Cl2N4OS
• Molecular Weight: 291.161
• DSSTox Substance ID: DTXSID80196051
• Nikkaji Number: J1.178.640E
• ChEMBL ID: CHEMBL1095997
• Mol file: 4413-40-5.mol

Synonyms:4413-40-5;2,4-Dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)-3H-1,2,4-triazole-3-thione;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)-;BRN 0818351;4-amino-3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione;4-amino-5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol;4-Amino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol;CHEMBL1095997;DTXSID80196051;STK328767;AKOS005437404;LS-156156

Chemical Property of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)-

Chemical Property:

• Vapor Pressure: 2.94E-07mmHg at 25°C
• Boiling Point: 419.9°C at 760 mmHg
• Flash Point: 207.7°C
• Density: 1.69g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 289.9795875
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCC2=NNC(=S)N2N

Technology Process of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)-

There total 5 articles about 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((2,4-dichlorophenoxy)methyl)- 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:

2,4-dichlorophenoxyacetylhydrazine (28236-62-6) → 3-((2,4-dichlorophenoxy)methyl)-4-amino-4H-1,2,4-triazole-5-thiol (4413-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / methanol

2.1: hydrazine hydrate / methanol / 4 h / Reflux

2.2: Reflux

With hydrazine hydrate; potassium hydroxide; In methanol;

DOI:10.1002/jhet.1605

Reference yield:

C9H7Cl2N2O2S2(1-)*K(1+) → 3-((2,4-dichlorophenoxy)methyl)-4-amino-4H-1,2,4-triazole-5-thiol (4413-40-5)

Guidance literature:

C₉H₇Cl₂N₂O₂S₂^(1-)*K⁽¹⁺⁾; With hydrazine hydrate; In methanol; for 4h; Reflux;

With hydrogenchloride; In methanol; water; Reflux;

DOI:10.1002/jhet.1605

Reference yield:

C10H10Cl2N2O2S2 → 3-((2,4-dichlorophenoxy)methyl)-4-amino-4H-1,2,4-triazole-5-thiol (4413-40-5)

Guidance literature:

With hydrazine;

DOI:10.1016/j.ejmech.2010.01.030

upstream raw materials:

2,4-Dichlorophenoxyacetic acid

Thiocarbohydrazide

2,4-dichlorophenoxyacetylhydrazine

Downstream raw materials:

3-((2,4-dichlorophenoxy)methyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3,6-bis((2,4-dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-((2,4-dichlorophenoxy)methyl)-7-((3-(benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-6-(benzofuran-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-((2,4-dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6(5H)-one