4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione

Base Information

• Chemical Name: 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
• CAS No.: 1533519-84-4
• Molecular Formula: C15H13N3S
• Molecular Weight: 267.354
• Mol file: 1533519-84-4.mol

Synonyms:4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione;lesinurad int.4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione;4-(4-Cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol;Sodium 2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate;4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;Lesinurad Impurity 21;4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione (for Lesinurad)

Chemical Property of 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione

Chemical Property:

• Boiling Point: 435.2±38.0 °C(Predicted)
• PKA: 7.89±0.20(Predicted)
• PSA: 69.51000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 3.58660
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione is a reagent used in the discovery of Lesinurad, a HEK293 cell-based inhibitor.

Technology Process of 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione

There total 13 articles about 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione 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: 90.0%

N-(4-cyclopropylnaphthalen-1-yl)-2-formylhydrazine-1-thiocarboxamide (1533519-86-6) → 4-(4-cyclopropylnaphthalen-1-yl)-4Η-1,2,4-triazole-3-thiol (1533519-84-4)

Guidance literature:

With water; sodium hydroxide; In N,N-dimethyl-formamide; at 30 ℃; for 16h; Solvent; Temperature; Reagent/catalyst;

Reference yield: 89.89%

C12H8ClN3S + cyclopropylmagnesium bromide (23719-80-4) → 4-(4-cyclopropylnaphthalen-1-yl)-4Η-1,2,4-triazole-3-thiol (1533519-84-4)

Guidance literature:

In tetrahydrofuran; for 2h;

Reference yield:

1-amino-4-cyclopropylnaphthalene (878671-94-4) → 4-(4-cyclopropylnaphthalen-1-yl)-4Η-1,2,4-triazole-3-thiol (1533519-84-4)

Guidance literature:

Multi-step reaction with 3 steps

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

2: N,N-dimethyl-formamide / 50 - 55 °C

3: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C

With potassium hydrogencarbonate; In 5,5-dimethyl-1,3-cyclohexadiene; water; N,N-dimethyl-formamide;

upstream raw materials:

1-amino-4-cyclopropylnaphthalene

1-Bromonaphthalene

1-cyclopropyl-naphthalene

1-cyclopropyl-4-nitronaphthalene

Downstream raw materials:

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

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

2-(4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol

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