1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole

Base Information

• Chemical Name: 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole
• CAS No.: 1093058-51-5
• Molecular Formula: C₁₇H₁₈ClN₃O₂S
• Molecular Weight: 363.868
• Mol file: 1093058-51-5.mol

Synonyms:1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole

Chemical Property of 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole

There total 3 articles about 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole 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: 81.0%

potassium thioacyanate (333-20-0) + (2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4-[(p-toluenesulfonyloxy)methyl]-1,3-dioxalane (143327-63-3) → 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole (1093058-51-5)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 26h;

Reference yield:

1-[2-hydroxy-4-(4-chlorophenyl)-n-butyl]imidazole (67085-11-4) → 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole (1093058-51-5)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride; dimethyl sulfoxide; triethylamine

2: toluene-4-sulfonic acid / toluene; butan-1-ol / 8 h / Heating / reflux

3: N,N-dimethyl-formamide / 26 h / 100 °C

With oxalyl dichloride; toluene-4-sulfonic acid; dimethyl sulfoxide; triethylamine; In N,N-dimethyl-formamide; toluene; butan-1-ol; 1: Swern Oxidation;

Reference yield:

4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanone (82362-50-3) → 1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole (1093058-51-5)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / toluene; butan-1-ol / 8 h / Heating / reflux

2: N,N-dimethyl-formamide / 26 h / 100 °C

With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; toluene; butan-1-ol;

upstream raw materials:

potassium thioacyanate

(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4-[(p-toluenesulfonyloxy)methyl]-1,3-dioxalane

1-[2-hydroxy-4-(4-chlorophenyl)-n-butyl]imidazole

4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanone

Downstream raw materials:

1-{2-[2-(4-chlorophenyl)ethyl]-4-thiocyanatomethyl-[1,3]dioxolan-2-ylmethyl}-1H-imidazole hydrochloride