3-iodo-1-trityl-1H-1,2,4-triazole

Base Information

• Chemical Name: 3-iodo-1-trityl-1H-1,2,4-triazole
• CAS No.: 151899-62-6
• Molecular Formula: C21H16IN3
• Molecular Weight: 437.283
• Mol file: 151899-62-6.mol

Synonyms:3-iodo-1-trityl-1H-1,2,4-triazole;1H-1,2,4-Triazole, 3-iodo-1-(triphenylMethyl)-;3-Iodo-1-(triphenylmethyl)-1H-1,2,4-triazole;3-iodo-1-trityl-1,2,4-triazole

Chemical Property of 3-iodo-1-trityl-1H-1,2,4-triazole

Chemical Property:

• Boiling Point: 560.9±60.0 °C(Predicted)
• PKA: 0.21±0.50(Predicted)
• PSA: 30.71000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 4.72290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-1-trityl-1H-1,2,4-triazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-iodo-1-trityl-1H-1,2,4-triazole

There total 3 articles about 3-iodo-1-trityl-1H-1,2,4-triazole 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:

dichloromethane hydrate + triphenylphosphine hydrobromide (6399-81-1) + 1-trityl-5-iodo-1,2,4-triazole (151899-61-5) → 3-iodo-1-trityl-1H-1,2,4-triazole (151899-62-6)

Guidance literature:

In dichloromethane;

Reference yield:

1-triphenylmethyl-1,2,4-triazole (31250-99-4) → 3-iodo-1-trityl-1H-1,2,4-triazole (151899-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: n-BuLi; Me₂N(CH₂)2NMe₂; I₂ / tetrahydrofuran

2: PPh₃*HBr / CH₂Cl₂

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; iodine; triphenylphosphine hydrobromide; In tetrahydrofuran; dichloromethane; 1: Iodination / 2: Rearrangement;

DOI:10.1002/(SICI)1096-9063(199708)50:4<297::AID-PS592>3.0.CO;2-2

Reference yield:

→ 3-iodo-1-trityl-1H-1,2,4-triazole (151899-62-6)

Guidance literature:

upstream raw materials:

1-triphenylmethyl-1,2,4-triazole

triphenylphosphine hydrobromide

1-trityl-5-iodo-1,2,4-triazole

Downstream raw materials:

1-hydroxy-3(1-trityl-1,2,4-triazol-3-yl)prop-2-yne

diethyl 3(1-trityl-1,2,4-triazol-3-yl)prop-2-yne phosphonate

3-(1-trimethylsilylethyn-2-yl)-1-trityl-1H-1,2,4-triazole

(1S)-3-((2S,3R)-2-(4-{4-(acetyloxy)-3-[(acetyloxy)methyl]-3-hydroxybut-1-yn-1-yl}phenyl)-4-oxo-1-{4-[(trityl-1H-1,2,4-triazol-3-yl)ethynyl]phenyl}azetidin-3-yl)-1-(4-fluorophenyl)propyl acetate

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