8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Base Information

• Chemical Name: 8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
• CAS No.: 147916-84-5
• Molecular Formula: C5H3IN4O
• Molecular Weight: 262.01
• Mol file: 147916-84-5.mol

Synonyms:8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one;8-iodopyrazolo[1,5-a][1,3,5]triazin-4(3H)-one

Chemical Property of 8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Chemical Property:

• Melting Point: 245 °C (H2O)
• PKA: 7.67±0.20(Predicted)
• PSA: 63.05000
• Density: 2.73±0.1 g/cm3(Predicted)
• LogP: 0.02220

Purity/Quality:

99%, ^*data from raw suppliers

8-Iodopyrazolo[1,5-a][1,3,5]triazin-4(3H)-one ^*data from reagent suppliers

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Technology Process of 8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

There total 1 articles about 8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one 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: 86.0%

4-oxo-3H-pyrazolo<1,5-a>-1,3,5-triazine (54346-27-9) → 8-iodopyrazolo<1,5-a>-1,3,5-triazin-4-one (147916-84-5)

Guidance literature:

With N-iodo-succinimide; In N,N-dimethyl-formamide; at 40 ℃; for 5h;

DOI:10.1080/15257779508014656

Reference yield: 57.5%

8-iodopyrazolo<1,5-a>-1,3,5-triazin-4-one (147916-84-5) + N-methylaniline (100-61-8) → 8-iodo-4-(N-methyl-N-phenylamino)pyrazolo[1,5-a]-1,3,5-triazine (652539-01-0)

Guidance literature:

8-iodopyrazolo<1,5-a>-1,3,5-triazin-4-one; With dmap; trichlorophosphate; for 2h; Reflux;

N-methylaniline; With trimethylamine; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

Reference yield:

8-iodopyrazolo<1,5-a>-1,3,5-triazin-4-one (147916-84-5) → {(2R,5R)-3-(tert-Butyl-diphenyl-silanyloxy)-5-[4-(tetrahydro-pyran-2-yloxy)-pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,5-dihydro-furan-2-yl}-methanol

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / p-TsOH*H₂O / ethyl acetate / 30 h / 65 °C

2: Ph₃As, n-Bu₃N / Pd(dba)2 / acetonitrile / 15 h / 60 °C

With tributyl-amine; triphenyl-arsane; toluene-4-sulfonic acid; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In ethyl acetate; acetonitrile;

DOI:10.1080/15257779508014656

upstream raw materials:

4-oxo-3H-pyrazolo<1,5-a>-1,3,5-triazine

Downstream raw materials:

8-iodo-4-(N-methyl-N-phenylamino)pyrazolo[1,5-a]-1,3,5-triazine

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