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

Base Information

• Chemical Name: 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBONITRILE
• CAS No.: 658085-65-5
• Molecular Formula: C₁₀H₁₀N₄O
• Molecular Weight: 202.216
• Mol file: 658085-65-5.mol

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

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

Chemical Property:

• PSA: 73.95000
• LogP: 1.01768

Purity/Quality:

97% ^*data from raw suppliers

5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 5 articles about 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBONITRILE 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:

5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (658085-64-4) → 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (658085-65-5)

Guidance literature:

With trichlorophosphate; at 60 ℃; for 1h;

DOI:10.1021/jm0501275

Reference yield:

diethyl 1-amino-3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate (651744-39-7) → 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (658085-65-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / 6 h / 165 °C

2: 95 percent / aq. NaOH / tetrahydrofuran / 8 h / 60 °C

3: aq. NH₃; EDCI; HOBt / dimethylformamide / 4 h / 20 °C

4: POCl₃ / 1 h / 60 °C

With ammonium hydroxide; sodium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trichlorophosphate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm0501275

Reference yield:

ethyl 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (651744-40-0) → 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (658085-65-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / aq. NaOH / tetrahydrofuran / 8 h / 60 °C

2: aq. NH₃; EDCI; HOBt / dimethylformamide / 4 h / 20 °C

3: POCl₃ / 1 h / 60 °C

With ammonium hydroxide; sodium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trichlorophosphate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm0501275

upstream raw materials:

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

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

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

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