ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE

Base Information

• Chemical Name: ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
• CAS No.: 651744-40-0
• Molecular Formula: C₁₂H₁₅N₃O₃
• Molecular Weight: 249.269
• Hs Code.: 2933990090
• Mol file: 651744-40-0.mol

Synonyms:ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE

Chemical Property of ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE

Chemical Property:

• Boiling Point: 428.0±55.0 °C(Predicted)
• PKA: -6.69±0.20(Predicted)
• PSA: 76.46000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 1.32270

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-f][1,2,4]triazine-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE

There total 9 articles about ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE 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%

diethyl 1-amino-3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate (651744-39-7) + formamide (77287-34-4,77287-35-5,60100-09-6) → ethyl 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (651744-40-0)

Guidance literature:

at 165 ℃; for 6h;

DOI:10.1021/jm0501275

Reference yield: 62.0%

diethyl 1-amino-3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate (651744-39-7) + formamide (77287-34-4,77287-35-5,60100-09-6) → 5-(1-methylethyl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one-6-carboxylic acid ethyl ester (651744-40-0)

Guidance literature:

With 2,4-dinitrohydroxylamine; at 160 ℃; for 56h;

Reference yield:

diethyl 3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate (651744-38-6) → ethyl 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (651744-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: O-(diphenylphosphinyl)-hydroxylamine; NaH / dimethylformamide

2: 87 percent / 165 °C

With O-(diphenylphosphinyl)hydroxylamine; sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2005.07.027

upstream raw materials:

formamide

diethyl 1-amino-3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate

diethyl 3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate

Ethyl isocyanoacetate

Downstream raw materials:

ethyl 4-chloro-5-iso-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile

4-[[3-[(methoxyamino)carbonyl]-4-methylphenyl]amino]-5-(1-methylethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester

4-[[2-fluoro-5-[(methoxyamino)carbonyl]phenyl]amino]-5-(1-methylethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester