thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester

Base Information

• Chemical Name: thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester
• CAS No.: 616874-65-8
• Molecular Formula: C₃₆H₄₇N₃O₅S
• Molecular Weight: 633.852
• Mol file: 616874-65-8.mol

Synonyms:thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester

Chemical Property of thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester

There total 4 articles about thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl 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: 73.0%

N-(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenyl)-2-[2-(2-cloroethoxy)ethoxy]acetamide (616874-64-7) + potassium thioacetate (10387-40-3) → thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester (616874-65-8)

Guidance literature:

With 4 A molecular sieve; In N,N-dimethyl-formamide; at 20 ℃;

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

Reference yield:

2-[2-(chloroethoxy)ethoxy]ethanol (5197-62-6) → thioacetic acid (S)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester (616874-65-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / sulfuric acid; chromium(IV) oxide / acetone / 18 h / 20 °C

2: 42 percent / carbonyl diimidazole / tetrahydrofuran / 20 °C

3: 73 percent / molecular sieves 4 Angstroem / dimethylformamide / 20 °C

With chromium (VI) oxide; 4 A molecular sieve; sulfuric acid; 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide; acetone;

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)-2-{2-[(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenylcarbamoyl)methoxy]ethoxy}ethyl ester (616874-65-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 42 percent / carbonyl diimidazole / tetrahydrofuran / 20 °C

2: 73 percent / molecular sieves 4 Angstroem / dimethylformamide / 20 °C

With 4 A molecular sieve; 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide;

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

upstream raw materials:

N-(4-{3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl}phenyl)-2-[2-(2-cloroethoxy)ethoxy]acetamide

potassium thioacetate

2-[2-(chloroethoxy)ethoxy]ethanol

1-[2-[bis(phenyl)methoxy]ethyl]-4-(3-(4-aminophenyl)propyl)piperazine