Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, ethyl ester

Base Information

• Chemical Name: Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, ethyl ester
• CAS No.: 427878-70-4
• Molecular Formula: C₁₀H₁₁N₃O₃
• Molecular Weight: 221.216
• Mol file: 427878-70-4.mol

Synonyms:5-Methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester;

Chemical Property of Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.641
• Boiling Point: 400.913 °C at 760 mmHg
• Flash Point: 196.265 °C
• PSA: 76.46000
• Density: 1.417 g/cm³
• LogP: 0.50770
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

ethyl5-methyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, ethyl ester

There total 39 articles about Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, ethyl ester 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%

formamide (77287-34-4,77287-35-5,60100-09-6) + 1-amino-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester (427878-69-1) → C10H11N3O3 (427878-70-4)

Guidance literature:

With acetic acid; at 120 ℃; for 24h;

Reference yield: 90.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 1-amino-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester (427878-69-1) → ethyl 5-methyl-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (427878-70-4)

Guidance literature:

With acetic acid; at 120 ℃; for 24h;

Reference yield:

ethyl 2-(((2-ethoxy-2-oxoethyl)amino)methylene)-3-oxobutanoate → ethyl 4-hydroxy-5-methylpyrrolo[2,1-f ][1,2,4]-triazine-6-carboxylate (427878-70-4) + C16H14N4O5 (1400934-20-4)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium 2-methylbutan-2-olate; ethyl trifluoroacetate, / ethanol; toluene / 9 h / 60 - 63 °C / Large scale

2: potassium tert-butylate / 1-methyl-pyrrolidin-2-one; tetrahydrofuran / 20 - 37 °C / Large scale

3: formamide; phosphoric acid / 120 °C

With ethyl trifluoroacetate,; phosphoric acid; potassium tert-butylate; potassium 2-methylbutan-2-olate; formamide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; ethanol; toluene;

DOI:10.1021/op300181r

upstream raw materials:

formamide

1-amino-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester

3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester

ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate

Downstream raw materials:

4-chloro-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester

C₈H₉N₃O₂

C₂₄H₂₁N₅O₄

C₃₂H₂₉FN₆O₃