1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 802541-48-6
• Molecular Formula: C₁₃H₁₈N₂O₃
• Molecular Weight: 250.298
• Hs Code.: 2933990090
• Mol file: 802541-48-6.mol

Synonyms:Y6407;1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER;Ethyl 1,4,4-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate;

Chemical Property of 1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• PSA: 61.19000
• LogP: 1.85090

Purity/Quality:

97% ^*data from raw suppliers

1,4,4-Trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylicacidethylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

There total 1 articles about 1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID 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: 47.7%

ethyl (3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl)(oxo)acetate (802541-47-5) + methylhydrazine (60-34-4) → ethyl 1,4,4-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (802541-48-6)

Guidance literature:

With acetic acid; at 20 ℃;

Reference yield:

ethyl 1,4,4-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (802541-48-6) → ethyl 1,4,4-trimethyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 60 °C / Inert atmosphere

2: potassium carbonate / N,N-dimethyl-formamide; 1,4-dioxane / 8 h / Inert atmosphere

With potassium carbonate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2018.08.043

Reference yield:

ethyl 1,4,4-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (802541-48-6) → ethyl 8-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1,4,4-trimethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: DMF (N,N-dimethyl-formamide) / 2 h / 65 °C

2: DMF (N,N-dimethyl-formamide) / 37 h / 100 °C

In DMF (N,N-dimethyl-formamide);

upstream raw materials:

ethyl (3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl)(oxo)acetate

methylhydrazine