(2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1⁽⁸⁾,2⁽⁶⁾-dien-10-yl}phenyl)methyl acetate

Base Information

• Chemical Name: (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1⁽⁸⁾,2⁽⁶⁾-dien-10-yl}phenyl)methyl acetate
• CAS No.: 1346672-71-6
• Molecular Formula: C₂₁H₂₂BrNO₃S
• Molecular Weight: 448.381

Synonyms:(2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1⁽⁸⁾,2⁽⁶⁾-dien-10-yl}phenyl)methyl acetate

Chemical Property of (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1⁽⁸⁾,2⁽⁶⁾-dien-10-yl}phenyl)methyl acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1⁽⁸⁾,2⁽⁶⁾-dien-10-yl}phenyl)methyl acetate

There total 13 articles about (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1⁽⁸⁾,2⁽⁶⁾-dien-10-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: 52.0%

acetic acid 2,6-dibromobenzyl ester (1147858-83-0) + 6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1(2H)-one (1346672-70-5) → (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}phenyl)methyl acetate (1346672-71-6)

Guidance literature:

With caesium carbonate; copper(l) iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 90 ℃; for 14h; Inert atmosphere;

Reference yield:

3,3-dimethylcyclopentanone (20500-49-6) → (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}phenyl)methyl acetate (1346672-71-6)

Guidance literature:

Multi-step reaction with 10 steps

1.1: trichlorophosphate / dichloromethane / 1.5 h / 0 - 20 °C / Inert atmosphere

1.2: 19 h / Reflux

1.3: 0.75 h / Cooling with ice

2.1: triethylamine / dichloromethane / 6 h / Inert atmosphere; Reflux

3.1: water; lithium hydroxide / ethanol; tetrahydrofuran / 4 h / 60 °C

3.2: 20 °C / pH 1.5

4.1: thionyl chloride / N,N-dimethyl-formamide / toluene / 1 h / Reflux

5.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 18 h / 0 - 20 °C / Inert atmosphere

6.1: tetrahydrofuran / 2.5 h / -70 - 0 °C / Inert atmosphere

6.2: -70 - -10 °C

7.1: sulfuric acid / 90 °C

8.1: hydroxylamine hydrochloride; sodium acetate / methanol / 14 h / 20 °C / Inert atmosphere

9.1: polyphosphoric acid / 13 h / 80 °C / Inert atmosphere

10.1: caesium carbonate / copper(l) iodide; N,N`-dimethylethylenediamine / 1,4-dioxane / 14 h / 90 °C / Inert atmosphere

With thionyl chloride; sulfuric acid; hydroxylamine hydrochloride; water; sodium acetate; caesium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; lithium hydroxide; trichlorophosphate; copper(l) iodide; N,N-dimethyl-formamide; N,N`-dimethylethylenediamine; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; toluene;

Reference yield:

N-methoxy-N,5,5-trimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (1346672-65-8) → (2-bromo-6-{4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}phenyl)methyl acetate (1346672-71-6)

Guidance literature:

Multi-step reaction with 5 steps

1.1: tetrahydrofuran / 2.5 h / -70 - 0 °C / Inert atmosphere

1.2: -70 - -10 °C

2.1: sulfuric acid / 90 °C

3.1: hydroxylamine hydrochloride; sodium acetate / methanol / 14 h / 20 °C / Inert atmosphere

4.1: polyphosphoric acid / 13 h / 80 °C / Inert atmosphere

5.1: caesium carbonate / copper(l) iodide; N,N`-dimethylethylenediamine / 1,4-dioxane / 14 h / 90 °C / Inert atmosphere

With sulfuric acid; hydroxylamine hydrochloride; sodium acetate; caesium carbonate; copper(l) iodide; N,N`-dimethylethylenediamine; In tetrahydrofuran; 1,4-dioxane; methanol;

upstream raw materials:

2,6-dibromotoluene

3,3-dimethylcyclopentanone

3-Methyl-2-cyclopenten-1-one

2,6-dibromobenzyl bromide

Downstream raw materials:

C₂₇H₃₄BNO₅S

5-(3-(6,6-dimethyl-3,4,6,7-tetrahydro-5H-cyclopenta[4,5]thieno[2,3-c]pyridine-1(2H)-yl)-2-(hydroxymethyl)phenyl)-1-methyl-3-(1-ethyl-1H-pyrazol-4-ylamino)pyrazin-2(1H)-one

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