C₃₉H₄₆N₆O₄S

Base Information

• Chemical Name: C₃₉H₄₆N₆O₄S
• CAS No.: 1312610-32-4
• Molecular Formula: C₃₉H₄₆N₆O₄S
• Molecular Weight: 694.898

Synonyms:C₃₉H₄₆N₆O₄S

Chemical Property of C₃₉H₄₆N₆O₄S

Chemical Property:

Purity/Quality:

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Technology Process of C₃₉H₄₆N₆O₄S

There total 13 articles about C₃₉H₄₆N₆O₄S 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: 34.0%

(S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester (1007882-59-8) + C27H34B2O4S (1312610-31-3) → C39H46N6O4S (1312610-32-4)

Guidance literature:

With caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; at 80 ℃; for 3h; Inert atmosphere;

Reference yield:

3-methoxy-2-hydroxybenzaldehyde (148-53-8) → C39H46N6O4S (1312610-32-4)

Guidance literature:

Multi-step reaction with 13 steps

1.1: potassium hydroxide / water; tetrahydrofuran / 0 - 20 °C

2.1: diphenylether / 240 - 250 °C / Inert atmosphere

3.1: sodium hydroxide; water / methanol / 2 h / Inert atmosphere; Reflux

4.1: sodium hydroxide / water / 4 h / 100 °C

4.2: 20 °C / pH 4 - 5

5.1: sodium hydroxide / diphenylether; water / 6 h / 100 °C

5.2: 20 °C / pH 4 - 5

6.1: copper; quinoline / 1.5 h / 210 - 220 °C / Inert atmosphere

7.1: bromine / tetrachloromethane / 2.5 h / 0 °C

8.1: sodium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / tetrahydrofuran / 80 °C / Inert atmosphere

9.1: n-butyllithium / tetrahydrofuran; hexanes / 0.5 h / -78 °C

9.2: 1 h

10.1: boron tribromide / dichloromethane / 0.5 h / 0 °C

10.2: Cooling with ice

11.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 0 °C

12.1: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 3 h / 80 °C / Inert atmosphere

13.1: caesium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 3 h / 80 °C / Inert atmosphere

With quinoline; n-butyllithium; water; bromine; potassium acetate; boron tribromide; copper; sodium carbonate; caesium carbonate; N-ethyl-N,N-diisopropylamine; potassium hydroxide; sodium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; methanol; tetrachloromethane; hexanes; diphenylether; dichloromethane; water; 8.1: Suzuki Coupling / 13.1: Suzuki Coupling;

Reference yield:

7-methoxybenzothiophene (88791-08-6) → C39H46N6O4S (1312610-32-4)

Guidance literature:

Multi-step reaction with 7 steps

1.1: bromine / tetrachloromethane / 2.5 h / 0 °C

2.1: sodium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / tetrahydrofuran / 80 °C / Inert atmosphere

3.1: n-butyllithium / tetrahydrofuran; hexanes / 0.5 h / -78 °C

3.2: 1 h

4.1: boron tribromide / dichloromethane / 0.5 h / 0 °C

4.2: Cooling with ice

5.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 0 °C

6.1: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 3 h / 80 °C / Inert atmosphere

7.1: caesium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 3 h / 80 °C / Inert atmosphere

With n-butyllithium; bromine; potassium acetate; boron tribromide; sodium carbonate; caesium carbonate; N-ethyl-N,N-diisopropylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; tetrachloromethane; hexanes; dichloromethane; water; 2.1: Suzuki Coupling / 7.1: Suzuki Coupling;

upstream raw materials:

3-methoxy-2-hydroxybenzaldehyde

7-methoxybenzothiophene

O-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate

S-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate

Downstream raw materials:

C₄₃H₅₂N₈O₆S

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