9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene

Base Information

• Chemical Name: 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene
• CAS No.: 1312014-67-7
• Molecular Formula: C₄₅H₃₉N₅
• Molecular Weight: 649.838
• Mol file: 1312014-67-7.mol

Synonyms:9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene

Chemical Property of 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene

There total 6 articles about 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene 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: 74.0%

4-(2-bromophenyl)-3,5-bis(4-tert-butylphenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine (1312014-64-4) → 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene (1312014-67-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; toluene; at 130 ℃; for 5h; Inert atmosphere;

DOI:10.3998/ark.5550190.0012.920

Reference yield: 60.0%

3,5-bis(4-tert-butylphenyl)-4-(2-chlorophenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine (1312014-63-3) → 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene (1312014-67-7)

Guidance literature:

With isoquinoline; potassium hydroxide; for 1h; Reflux;

DOI:10.3998/ark.5550190.0012.920

Reference yield:

3-(4-tert-butylphenyl)-3-oxopropanenitrile (39528-62-6) → 9-(tert-butyl)-1-[4-(tert-butyl)phenyl]-3,5-dihydro-3,5-diphenyl-2,3,4,5,6-pentaazadibenzo[4,5:6,7]cyclohepta[1,2,3-cd]s-indacene (1312014-67-7)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water / Reflux

2: sulfolane / 230 °C

3: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; 1,8-diazabicyclo[5.4.0]undec-7-ene / N,N-dimethyl-formamide; toluene / 5 h / 130 °C / Inert atmosphere

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In sulfolane; water; N,N-dimethyl-formamide; toluene;

DOI:10.3998/ark.5550190.0012.920

upstream raw materials:

3‐(4‐tert‐butylphenyl)‐1‐phenyl‐1H‐pyrazol‐5‐amine

2-chloro-benzaldehyde

ortho-bromobenzaldehyde

3,5-bis(4-tert-butylphenyl)-4-(2-chlorophenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine