C₁₆H₁₄ClN₃O₃

Base Information

• Chemical Name: C₁₆H₁₄ClN₃O₃
• CAS No.: 1400934-25-9
• Molecular Formula: C₁₆H₁₄ClN₃O₃
• Molecular Weight: 331.758
• Mol file: 1400934-25-9.mol

Synonyms:

Chemical Property of C₁₆H₁₄ClN₃O₃

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₁₆H₁₄ClN₃O₃

There total 5 articles about C₁₆H₁₄ClN₃O₃ 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:

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) + C16H14ClN3O3 (1400934-25-9)

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

Reference yield:

ethyl acetoacetate (141-97-9) → ethyl 4-hydroxy-5-methylpyrrolo[2,1-f ][1,2,4]-triazine-6-carboxylate (427878-70-4) + C16H14ClN3O3 (1400934-25-9)

Guidance literature:

Multi-step reaction with 5 steps

1: p-toluenesulfonic acid monohydrate / 1 h / 55 - 60 °C

2: ethanol / 0.5 h / 45 - 53 °C / Large scale

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

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

5: formamide; phosphoric acid / 120 °C

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

DOI:10.1021/op300181r

Reference yield:

ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate (134653-70-6,51145-57-4) → ethyl 4-hydroxy-5-methylpyrrolo[2,1-f ][1,2,4]-triazine-6-carboxylate (427878-70-4) + C16H14ClN3O3 (1400934-25-9)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol / 0.5 h / 45 - 53 °C / Large scale

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

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

4: 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:

ethyl acetoacetate

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

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

diethyl 1-(3-chlorobenzamido)-3-methyl-1H-pyrrole-2,4-dicarboxylate