C₂₉H₄₁N₃O₅

Base Information

• Chemical Name: C₂₉H₄₁N₃O₅
• CAS No.: 1425822-40-7
• Molecular Formula: C₂₉H₄₁N₃O₅
• Molecular Weight: 511.662
• Mol file: 1425822-40-7.mol

Synonyms:C₂₉H₄₁N₃O₅

Chemical Property of C₂₉H₄₁N₃O₅

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₂₉H₄₁N₃O₅

There total 14 articles about C₂₉H₄₁N₃O₅ 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: 17.0%

(S)-ethyl 4-[8-amino-1,2,4,5-tetrahydro-2-(2-methylpropyl)-4-(3-methylbutyl)-3-oxo-3H-1,4-benzodiazepin-7-yl]-3-[2-(benzyloxy)ethoxy]benzoate (1425822-37-2) → C29H41N3O5 (1425822-40-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In 1,4-dioxane; at 50 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.11.042

Reference yield:

N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester (1425822-14-5) → C29H41N3O5 (1425822-40-7)

Guidance literature:

Multi-step reaction with 8 steps

1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene / toluene / 4 h / 110 °C / Inert atmosphere

2: hydrogen; triethylamine / methanol; water / 13.5 h / 20 °C / Inert atmosphere

3: tetra-(n-butyl)ammonium iodide; potassium tert-butylate / 0.08 h / -20 °C

4: hydrogen; palladium 10% on activated carbon / 1,4-dioxane / 16 h / 20 °C / Inert atmosphere

5: hydrogenchloride / water; 1,4-dioxane / 3 h / 20 °C

6: pyridine iodine monochloride / water; dichloromethane / 6.5 h / 20 °C

7: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate / N,N-dimethyl-formamide / 80 °C / Inert atmosphere

8: hydrogen; palladium 10% on activated carbon / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere

With hydrogenchloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; palladium 10% on activated carbon; potassium tert-butylate; hydrogen; pyridine iodine monochloride; tetra-(n-butyl)ammonium iodide; caesium carbonate; triethylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene; 7: |Suzuki Coupling;

DOI:10.1016/j.bmc.2012.11.042

Reference yield:

(S)-8-bis(tert-butoxycarbonyl)amino-1,2,4,5-tetrahydro-2-(2-methylpropyl)-3H-1,4-benzodiazepin-3-one (1425822-18-9) → C29H41N3O5 (1425822-40-7)

Guidance literature:

Multi-step reaction with 6 steps

1: tetra-(n-butyl)ammonium iodide; potassium tert-butylate / 0.08 h / -20 °C

2: hydrogen; palladium 10% on activated carbon / 1,4-dioxane / 16 h / 20 °C / Inert atmosphere

3: hydrogenchloride / water; 1,4-dioxane / 3 h / 20 °C

4: pyridine iodine monochloride / water; dichloromethane / 6.5 h / 20 °C

5: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate / N,N-dimethyl-formamide / 80 °C / Inert atmosphere

6: hydrogen; palladium 10% on activated carbon / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere

With hydrogenchloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; palladium 10% on activated carbon; potassium tert-butylate; hydrogen; pyridine iodine monochloride; tetra-(n-butyl)ammonium iodide; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; 5: |Suzuki Coupling;

DOI:10.1016/j.bmc.2012.11.042

upstream raw materials:

N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester

(S)-methyl 2-(5-(bis(tert-butoxycarbonyl)amino)-2-cyanophenylamino)-4-methylpentanoate

(S)-8-bis(tert-butoxycarbonyl)amino-1,2,4,5-tetrahydro-2-(2-methylpropyl)-3H-1,4-benzodiazepin-3-one

(S)-8-bis(tert-butoxycarbonyl)amino-1,2,4,5-tetrahydro-4-(3-methylbut-2-enyl)-2-(2-methylpropyl)-3H-1,4-benzodiazepin-3-one