toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester

Base Information

• Chemical Name: toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester
• CAS No.: 638212-24-5
• Molecular Formula: C₂₃H₂₆N₄O₇S₂
• Molecular Weight: 534.614
• Mol file: 638212-24-5.mol

Synonyms:toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester

Chemical Property of toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester

There total 6 articles about toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl 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: 80.0%

p-toluenesulfonyl chloride (98-59-9) + 7-hydroxy-1,3-dimethyl-9-(toluene-4-sulfonyl)-1,5,6,7,8,9-hexahydro-pyrimido[4,5-b][1,4]diazepine-2,4-dione (638212-23-4) → toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester (638212-24-5)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 3h;

DOI:10.3987/COM-03-9872

Reference yield:

4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide (5997-56-8) → toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester (638212-24-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / NaH / tetrahydrofuran / 1.5 h / 20 °C

2: 100 percent / hydrogen / Pd/C / ethyl acetate / 2.5 h

3: 96 percent / BF₃*Et₂O / CH₂Cl₂ / 3 h / 20 °C

4: 80 percent / p-(dimethylamino)pyridine / CH₂Cl₂ / 3 h / 20 °C

With dmap; boron trifluoride diethyl etherate; hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate;

DOI:10.3987/COM-03-9872

Reference yield:

4-methyl-N-(2-propenyl)benzenesulfonamide (50487-71-3) → toluene-4-sulfonic acid 1,3-dimethyl-2,4-dioxo-9-(toluene-4-sulfonyl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrimido[4,5-b][1,4]diazepin-7-yl ester (638212-24-5)

Guidance literature:

Multi-step reaction with 5 steps

1: m-CPBA / CH₂Cl₂ / 24 h / 20 °C

2: 90 percent / NaH / tetrahydrofuran / 1.5 h / 20 °C

3: 100 percent / hydrogen / Pd/C / ethyl acetate / 2.5 h

4: 96 percent / BF₃*Et₂O / CH₂Cl₂ / 3 h / 20 °C

5: 80 percent / p-(dimethylamino)pyridine / CH₂Cl₂ / 3 h / 20 °C

With dmap; boron trifluoride diethyl etherate; hydrogen; sodium hydride; 3-chloro-benzenecarboperoxoic acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate;

DOI:10.3987/COM-03-9872

upstream raw materials:

p-toluenesulfonyl chloride

7-hydroxy-1,3-dimethyl-9-(toluene-4-sulfonyl)-1,5,6,7,8,9-hexahydro-pyrimido[4,5-b][1,4]diazepine-2,4-dione

4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide

4-methyl-N-(2-propenyl)benzenesulfonamide