5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate

Base Information

• Chemical Name: 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate
• CAS No.: 1442654-17-2
• Molecular Formula: CF₃O₃S*C₂₂H₂₃N₂O₂S
• Molecular Weight: 528.573

Synonyms:5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate

Chemical Property of 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Technology Process of 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate

There total 3 articles about 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate 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: 30.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + trifluorormethanesulfonic acid (1493-13-6) + cyclopentanone (120-92-3) + 4-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine (93019-52-4) → C17H20N2O2S (1442654-18-3) + 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate (1442654-17-2)

Guidance literature:

In butan-1-ol; at 100 ℃; for 5h;

DOI:10.1021/ol401029k

Reference yield:

2,3,4,5-tetrahydro-1H-benzodiazepine dihydrochloride (5177-43-5) → 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate (1442654-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / ethyl acetate; water

1.2: 3.33 h / 20 °C

2.1: butan-1-ol / 5 h / 100 °C

With sodium hydrogencarbonate; In water; ethyl acetate; butan-1-ol;

DOI:10.1021/ol401029k

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → 5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate (1442654-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / ethyl acetate; water

1.2: 3.33 h / 20 °C

2.1: butan-1-ol / 5 h / 100 °C

With sodium hydrogencarbonate; In water; ethyl acetate; butan-1-ol;

DOI:10.1021/ol401029k

upstream raw materials:

formaldehyd

trifluorormethanesulfonic acid

cyclopentanone

4-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

Downstream raw materials:

(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

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