{4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone

Base Information

• Chemical Name: {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone
• CAS No.: 1374754-04-7
• Molecular Formula: C₃₂H₄₀N₆O
• Molecular Weight: 524.709
• Mol file: 1374754-04-7.mol

Synonyms:{4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone

Chemical Property of {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone

There total 3 articles about {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone 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: 95.0%

Cyclohexyl isocyanide (931-53-3) + trimethylsilylazide (4648-54-8) + 4-benzoylbenzene-1,2-diamine (39070-63-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone (1374754-04-7)

Guidance literature:

With NiO₃₉PW₁₁^(5-)*5C₈H₁₅N₂⁽¹⁺⁾*3H₂O; In methanol; at 20 ℃; for 4h;

DOI:10.1007/s13738-017-1116-y

Reference yield: 65.0%

C32H41N3O2 → {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone (1374754-04-7)

Guidance literature:

C₃₂H₄₁N₃O₂; With pyridine; phosphorus pentachloride; In dichloromethane; for 6h; Reflux;

With trimethylsilylazide; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1055/s-0031-1290603

Reference yield:

Cyclohexyl isocyanide (931-53-3) + 4-benzoylbenzene-1,2-diamine (39070-63-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → {4a'-(1-cyclohexyl-1H-tetrazol-5-yl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-yl}(phenyl)methanone (1374754-04-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: toluene-4-sulfonic acid / methanol / 4 h / 20 °C

1.2: 12 h / 20 °C

2.1: pyridine; phosphorus pentachloride / dichloromethane / 6 h / Reflux

2.2: 24 h / 20 °C

With pyridine; phosphorus pentachloride; toluene-4-sulfonic acid; In methanol; dichloromethane;

DOI:10.1055/s-0031-1290603

upstream raw materials:

Cyclohexyl isocyanide

4-benzoylbenzene-1,2-diamine

cyclohexanone

trimethylsilylazide