3H-1,2,4-Triazole-3-thione, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro

Base Information

• Chemical Name: 3H-1,2,4-Triazole-3-thione, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro
• CAS No.: 878671-96-6
• Molecular Formula: C15H14N4S
• Molecular Weight: 282.369
• Hs Code.: 2933990090
• Mol file: 878671-96-6.mol

Synonyms:3-amino-4-(4-cyclopropyl-1-naphthyl)-1H-1,2,4-triazole-5-thione;

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

Chemical Property:

• Boiling Point: 475.167 °C at 760 mmHg
• PKA: 8.22±0.20(Predicted)
• Flash Point: 241.173 °C
• PSA: 95.53000
• Density: 1.52 g/cm³
• LogP: 3.75000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99.00% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

1-cyclopropyl-naphthalene (25033-19-6) → 5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol (878671-96-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium nitrite / 2.5 h / 0 °C

2.1: hydrogen / palladium 10% on activated carbon / ethanol

3.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.08 h / 0 °C

4.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 15 h / 50 °C

4.2: 60 h / 50 °C

With hydrogen; N-ethyl-N,N-diisopropylamine; sodium nitrite; palladium 10% on activated carbon; In ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

1-cyclopropyl-naphthalene (25033-19-6) → 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione (878671-96-6)

Guidance literature:

Multi-step reaction with 5 steps

1: nitric acid / 0 - 20 °C

2: palladium on activated charcoal; hydrogen

3: water; 5,5-dimethyl-1,3-cyclohexadiene / 90 - 140 °C

4: N,N-dimethyl-formamide

5: sodium hydroxide / N,N-dimethyl-formamide; water / Heating

With palladium on activated charcoal; hydrogen; nitric acid; sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; water; N,N-dimethyl-formamide;

Reference yield: 95.0%

5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol (878671-96-6) + 2-chloro-N-(2-chloro-4-sulfamoylphenyl)acetamide (53297-73-7) → 2-[5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide (878671-97-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

1-cyclopropyl-naphthalene

Downstream raw materials:

2-((5-amino-4-(4-cyclopropyl-naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid methyl ester

2-[5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide

4-(2-(5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol)acetamido)-3-chlorobenzoic acid

2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Refernces

• 1、 -. "POLYMORPHIC, CRYSTALLINE AND MESOPHASE FORMS OF SODIUM 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETATE, AND USES THEREOF". . . Retrieved 2011/08/03.