8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine

Base Information

• Chemical Name: 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine
• CAS No.: 1388725-86-7
• Molecular Formula: C₁₅H₁₅ClN₄O₂S
• Molecular Weight: 350.829
• Mol file: 1388725-86-7.mol

Synonyms:8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine

Chemical Property of 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine

There total 2 articles about 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine 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:

C14H13ClN4O2S + methyl iodide (74-88-4) → 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine (1388725-86-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 1h;

DOI:10.1016/j.bmc.2012.05.048

Reference yield:

[(3-chlorophenyl)sulfanyl]acetic acid (3996-38-1) → 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine (1388725-86-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / 1,4-dioxane; water / 2 h / 20 °C / pH 5 - 6

2.1: sodium hydroxide / 1,4-dioxane; water / 2 h / Reflux

2.2: 0 °C / pH 4

3.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 90 °C

With hydrogenchloride; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In 1,4-dioxane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2012.05.048

upstream raw materials:

methyl iodide

[(3-chlorophenyl)sulfanyl]acetic acid

Refernces