(2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}phenyl)methyl acetate

Base Information

• Chemical Name: (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}phenyl)methyl acetate
• CAS No.: 1346677-00-6
• Molecular Formula: C₁₉H₁₆BrFN₂O₃S
• Molecular Weight: 451.316

Synonyms:(2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}phenyl)methyl acetate

Chemical Property of (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}phenyl)methyl acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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Technology Process of (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}phenyl)methyl acetate

There total 8 articles about (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}phenyl)methyl acetate 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: 20.0%

2,6-dibromo-4-fluorobenzyl acetate (1346674-62-1) + 8-thia-4,5-diazatricyclo[7.4.0.02,7]-trideca-(9),2(7),3-trien-6-one (1346677-01-7) → (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-trien-5-yl}phenyl)methyl acetate (1346677-00-6)

Guidance literature:

With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 100 ℃; for 16h; Inert atmosphere;

Reference yield:

(4-fluoro-2-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-5-yl}-6-(bromo)phenyl)carbinol + acetyl chloride (75-36-5) → (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-trien-5-yl}phenyl)methyl acetate (1346677-00-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

1,3-dibromo-5-fluoro-2-iodobenzene (62720-29-0) → (2-bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-trien-5-yl}phenyl)methyl acetate (1346677-00-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: isopropylmagnesium chloride / toluene; ethyl acetate / 2 h / -35 - -25 °C

1.2: 3 h / 10 - 20 °C

2.1: sodium tetrahydroborate; ethanol / 4 h / 10 °C

3.1: triethylamine / dichloromethane / 16 h / 20 °C

4.1: copper(l) iodide; N,N`-dimethylethylenediamine; caesium carbonate / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere

With sodium tetrahydroborate; copper(l) iodide; ethanol; isopropylmagnesium chloride; caesium carbonate; triethylamine; N,N`-dimethylethylenediamine; In 1,4-dioxane; dichloromethane; ethyl acetate; toluene;

upstream raw materials:

(2,6-dibromo-4-fluorophenyl)methanol

2,6-dibromo-4-fluorobenzaldehyde

1,3-dibromo-5-fluoro-2-iodobenzene

2,6-dibromo-4-fluorobenzyl acetate

Downstream raw materials:

(4-fluoro-2-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.0^2,7]trideca-1⁽⁹⁾,2⁽⁷⁾,3-trien-5-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate

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