4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone

Base Information

• Chemical Name: 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone
• CAS No.: 955359-89-4
• Molecular Formula: C₃₁H₃₃Cl₂N₃O₂
• Molecular Weight: 550.528
• Mol file: 955359-89-4.mol

Synonyms:4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone

Chemical Property of 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone

There total 9 articles about 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone 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:

4-[(4-chlorophenyl)methyl]-2-{1-[(4-hydroxyphenyl)methyl]-hexahydro-1H-azepin-4-yl}-1(2H)-phthalazinone formate + 1.3-chlorobromopropane (109-70-6) → 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone (955359-89-4)

Guidance literature:

With potassium carbonate; In butanone; at 80 ℃; Heating / reflux;

Reference yield:

1,1-dimethylethyl 4-[4-[(4-chlorophenyl)methyl]-1-oxo-2(1H)-phthalazinyl]hexahydro-1H-azepine-1-carboxylate (955359-87-2) → 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone (955359-89-4)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / 1,4-dioxane / 1.5 h / 20 °C

2: sodium tris(acetoxy)borohydride; acetic acid / dichloromethane

3: potassium carbonate / butanone / 80 °C / Heating / reflux

With hydrogenchloride; sodium tris(acetoxy)borohydride; potassium carbonate; acetic acid; In 1,4-dioxane; dichloromethane; butanone;

Reference yield:

4-hydroxy-hexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester (478832-21-2) → 4-[(4-chlorophenyl)methyl]-2-[1-({4-[(3-chloropropyl)oxy]phenyl}methyl)hexahydro-1H-azepin-4-yl]-1(2H)-phthalazinone (955359-89-4)

Guidance literature:

Multi-step reaction with 4 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 3.58 h / -20 - 20 °C

2: hydrogenchloride / 1,4-dioxane / 1.5 h / 20 °C

3: sodium tris(acetoxy)borohydride; acetic acid / dichloromethane

4: potassium carbonate / butanone / 80 °C / Heating / reflux

With hydrogenchloride; di-isopropyl azodicarboxylate; sodium tris(acetoxy)borohydride; potassium carbonate; acetic acid; triphenylphosphine; In tetrahydrofuran; 1,4-dioxane; dichloromethane; butanone;

upstream raw materials:

1.3-chlorobromopropane

4-hydroxy-hexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester

4-chlorophenylacetic Acid

tert-butyl 4-oxoazepane-1-carboxylate