3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one

Base Information

• Chemical Name: 3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one
• CAS No.: 159326-71-3
• Molecular Formula: C6H5N3O
• Molecular Weight: 135.125
• Hs Code.: 2933998090
• Mol file: 159326-71-3.mol

Synonyms:Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one;

Chemical Property of 3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one

Chemical Property:

• Vapor Pressure: 0.000369mmHg at 25°C
• Refractive Index: 1.738
• Boiling Point: 318.1 °C at 760 mmHg
• PKA: 8.16±0.20(Predicted)
• Flash Point: 146.2 °C
• PSA: 50.16000
• Density: 1.51 g/cm³
• LogP: 0.02260
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one is used in the synthesis of kinase inhibitors as the template for their creation.

Technology Process of 3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one

There total 3 articles about 3H-Pyrrolo[2,1-f][1,2,4]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: 90.0%

formamidine acetic acid (3473-63-0) + methyl 1-amino-1H-pyrrole-2-carboxylate (122181-85-5) → pyrrolo[1,2-f][1,2,4]triazin-4-ol (159326-71-3)

Guidance literature:

In ethanol; at 85 ℃; for 16h;

Reference yield: 69.0%

methyl 1-amino-1H-pyrrole-2-carboxylate (122181-85-5) + formamide (77287-34-4,77287-35-5,60100-09-6) → pyrrolo<2,1-f><1,2,4>triazin-4(3H)-one (159326-71-3)

Guidance literature:

at 170 - 190 ℃; for 3h;

Reference yield: 19.0%

1-formylaminopyrrole-2-carboxamide (159326-70-2) → 1-aminopyrrole-2-carboxamide (159326-69-9) + pyrrolo<2,1-f><1,2,4>triazin-4(3H)-one (159326-71-3)

Guidance literature:

With sodium methylate; In methanol; for 19h; Heating;

DOI:10.1002/jhet.5570310415

upstream raw materials:

1-formylaminopyrrole-2-carboxamide

methyl 1-amino-1H-pyrrole-2-carboxylate

formamide

formamidine acetic acid

Downstream raw materials:

4-bromo-pyrrolo[2,1-f][1,2,4]triazine

4-chloropyrrolo[1,2-f][1,2,4]triazine

4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-f][1,2,4]triazine

3-fluoro-4-(pyrrolo[1,2-f][1,2,4]triazin-4-yloxy)aniline

Refernces

• 1、 -. "HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR". Page/Page column 32. . Retrieved 2011/08/06.