(+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate

Base Information

• Chemical Name: (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate
• CAS No.: 799803-72-8
• Molecular Formula: C₃₀H₂₂F₃N₃O₄
• Molecular Weight: 545.518
• Mol file: 799803-72-8.mol

Synonyms:(+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate

Chemical Property of (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate

There total 1 articles about (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate 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: 71.0%

4-hydroxybenzotrifluoride (402-45-9) + 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[b,f][1,5]diazocin-2-yl)-benzoic acid → (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate (799803-72-8)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; In dichloromethane; at 20 ℃; for 2.5h;

DOI:10.1002/anie.200460781

Reference yield: 90.0%

(+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate (799803-72-8) → (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-amino-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate (799803-73-9)

Guidance literature:

With hydrogen; nickel; In ethanol; ethyl acetate; at 20 ℃; for 1.33333h;

DOI:10.1002/anie.200460781

Reference yield:

(+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-nitro-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate (799803-72-8) → (+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate

Guidance literature:

Multi-step reaction with 2 steps

1.1: 90 percent / H₂ / Raney nickel / ethanol; ethyl acetate / 1.33 h / 20 °C

2.1: NaNO₂; HCl / H₂O / 0.5 h / 0 - 5 °C

2.2: 25 percent / H₃PO₂ / H₂O

With hydrogenchloride; hydrogen; sodium nitrite; nickel; In ethanol; water; ethyl acetate;

DOI:10.1002/anie.200460781

upstream raw materials:

4-hydroxybenzotrifluoride

Downstream raw materials:

(+/-)-(4-trifluoromethylphenyl) 3-methyl-2-(8-amino-6H,12H-5,11-methano-dibenzo[bf][1,5]diazocin-2-yl)benzoate