N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide

Base Information

• Chemical Name: N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide
• CAS No.: 1356679-50-9
• Molecular Formula: C₁₇H₁₄BrF₂NO₂S
• Molecular Weight: 414.27
• Mol file: 1356679-50-9.mol

Synonyms:N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide

Chemical Property of N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide

There total 2 articles about N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide 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: 61.0%

2-(4-bromo-3-fluorophenyl)-1,3-dioxane (1202075-51-1) + 4-bromo-2-fluoro-1-isothiocyanato-benzene (81171-71-3) → N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide (1356679-50-9)

Guidance literature:

2-(4-bromo-3-fluorophenyl)-1,3-dioxane; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

4-bromo-2-fluoro-1-isothiocyanato-benzene; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

DOI:10.1016/j.bmcl.2011.10.069

Reference yield:

4-bromo-2-fluoroaniline (367-24-8) → N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide (1356679-50-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium carbonate / chloroform / 20 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C

2.2: 0.75 h / -78 °C

With n-butyllithium; sodium carbonate; In tetrahydrofuran; hexane; chloroform;

DOI:10.1016/j.bmcl.2011.10.069

Reference yield: 96.0%

N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide (1356679-50-9) → 2-(4-(1,3-dioxan-2-yl)-2-fluorophenyl)-6-bromobenzo[d]thiazole (1202076-30-9)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 110 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.10.069

upstream raw materials:

2-(4-bromo-3-fluorophenyl)-1,3-dioxane

4-bromo-2-fluoro-1-isothiocyanato-benzene

4-bromo-2-fluoroaniline

Downstream raw materials:

methyl 1-(4-(6-(2-ethylthiazolidine-3-carbonyl)benzo[d]thiazol-2-yl)-3-fluorobenzyl)azetidine-3-carboxylate

C₂₆H₂₈FN₃O₃S₂

C₂₅H₂₆FN₃O₃S₂

C₂₃H₂₃FN₂O₃S