(4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID

Base Information

• Chemical Name: (4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID
• CAS No.: 3682-28-8
• Molecular Formula: C₁₀H₉N₃O₂S
• Molecular Weight: 235.266
• Hs Code.: 2933990090
• Mol file: 3682-28-8.mol

Synonyms:Aceticacid, [(4-phenyl-4H-1,2,4-triazol-3-yl)thio]- (6CI,7CI,9CI); Acetic acid,[(4-phenyl-s-triazol-3-yl)thio]- (8CI)

Chemical Property of (4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID

Chemical Property:

• Vapor Pressure: 2.96E-10mmHg at 25°C
• Refractive Index: 1.685
• Boiling Point: 485.9°Cat760mmHg
• Flash Point: 247.7°C
• PSA: 93.31000
• Density: 1.41g/cm³
• LogP: 1.44400

Purity/Quality:

96% ^*data from raw suppliers

2-((4-Phenyl-4H-1,2,4-triazol-3-yl)thio)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID

There total 7 articles about (4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID 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: 80.2%

4-ethoxycarbonyl-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide (1289425-15-5) → [(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (3682-28-8)

Guidance literature:

With water; sodium hydroxide; for 2h; Reflux;

DOI:10.1002/jhet.563

Reference yield:

1-formyl-4-phenyl-3-thiosemicarbazide → [(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (3682-28-8)

Guidance literature:

Multi-step reaction with 5 steps

1: Alkaline conditions

2: sodium ethanolate / ethanol / 17 h / 25 °C / Reflux

3: hydrazine hydrate / ethanol / 24 h / 25 °C

4: 12 h / 45 °C

5: water; sodium hydroxide / 2 h / Reflux

With water; sodium ethanolate; hydrazine hydrate; sodium hydroxide; In ethanol;

DOI:10.1002/jhet.563

Reference yield:

4-phenyl-Δ2-1,2,4-triazoline-5-thione (5373-72-8) → [(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (3682-28-8)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium ethanolate / ethanol / 17 h / 25 °C / Reflux

2: hydrazine hydrate / ethanol / 24 h / 25 °C

3: 12 h / 45 °C

4: water; sodium hydroxide / 2 h / Reflux

With water; sodium ethanolate; hydrazine hydrate; sodium hydroxide; In ethanol;

DOI:10.1002/jhet.563

upstream raw materials:

4-phenyl-Δ²-1,2,4-triazoline-5-thione

chloroacetic acid

4-ethoxycarbonyl-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide

[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide