thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester

Base Information

• Chemical Name: thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester
• CAS No.: 374808-69-2
• Molecular Formula: C₄₁H₅₇N₃O₃S
• Molecular Weight: 671.988
• Mol file: 374808-69-2.mol

Synonyms:thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester

Chemical Property of thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester

There total 6 articles about thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester 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: 31.0%

11-bromoundecanoic acid (4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenyl)amide (374808-68-1) + potassium thioacetate (10387-40-3) → thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester (374808-69-2)

Guidance literature:

In N,N-dimethyl-formamide; for 48h;

DOI:10.1016/S0040-4020(03)01179-7

Reference yield:

3-(4-nitrophenyl)propionic acid (16642-79-8) → thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester (374808-69-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: oxalyl chloride; DMF / toluene / 2 h / 20 °C

2.1: 4.3 g / triethylamine / CH₂Cl₂ / 18 h / Heating

3.1: 78.6 percent / SnCl₂*2H₂O / ethanol / 1.5 h / Heating

4.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 1 h / 20 °C

4.2: 28 percent / tetrahydrofuran / 96 h / 20 °C

5.1: 31 percent / dimethylformamide / 48 h

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; 1,1'-carbonyldiimidazole; tin(ll) chloride; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1016/S0040-4020(03)01179-7

Reference yield:

1-[2-[bis(phenyl)methoxy]ethyl]-4-(3-(4-aminophenyl)propyl)piperazine (127139-25-7) → thioacetic acid S-[10-(4-{3-[(4-(2-benzhydryloxyethyl)piperazin-1-yl)propyl]phenyl}carbamoyl)decyl] ester (374808-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 1 h / 20 °C

1.2: 28 percent / tetrahydrofuran / 96 h / 20 °C

2.1: 31 percent / dimethylformamide / 48 h

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4020(03)01179-7

upstream raw materials:

11-bromoundecanoic acid (4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenyl)amide

potassium thioacetate

11-bromoundecanoic acid

11-bromoundecanoyl chloride