3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione

Base Information

• Chemical Name: 3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione
• CAS No.: 1176272-68-6
• Molecular Formula: C₁₆H₂₀N₂O₄S
• Molecular Weight: 336.412
• Mol file: 1176272-68-6.mol

Synonyms:3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione

Chemical Property of 3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione

There total 1 articles about 3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione 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%

1,1-dioxo-1λ6-[1,4,5]thiadiazepane dihydrobromide + 2-(2,4,6-trimethylphenyl)malonic acid diethyl ester (94430-86-1) → 3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione (1176272-68-6)

Guidance literature:

1,1-dioxo-1λ6-[1,4,5]thiadiazepane dihydrobromide; With triethylamine; In 5,5-dimethyl-1,3-cyclohexadiene; at 60 ℃; for 3h; Inert atmosphere;

2-(2,4,6-trimethylphenyl)malonic acid diethyl ester; In 5,5-dimethyl-1,3-cyclohexadiene; Inert atmosphere; Heating;

DOI:10.1016/j.bmc.2008.12.062

Reference yield: 82.0%

3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione (1176272-68-6) + pivaloyl chloride (3282-30-2) → 2,2-dimethylpropionic acid 3,3,9-trioxo-8-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1H,9H-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepin-7-yl ester (1176272-71-1)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2008.12.062

upstream raw materials:

2-(2,4,6-trimethylphenyl)malonic acid diethyl ester

Downstream raw materials:

2,2-dimethylpropionic acid 3,3,9-trioxo-8-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1H,9H-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepin-7-yl ester