C₂₁H₂₁FN₂O₅S

Base Information

• Chemical Name: C₂₁H₂₁FN₂O₅S
• CAS No.: 1374229-73-8
• Molecular Formula: C₂₁H₂₁FN₂O₅S
• Molecular Weight: 432.473
• Mol file: 1374229-73-8.mol

Synonyms:

Chemical Property of C₂₁H₂₁FN₂O₅S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₂₁H₂₁FN₂O₅S

There total 11 articles about C₂₁H₂₁FN₂O₅S 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:

ethyl 2-(4-fluorophenyl)-5-hydroxy-6-nitrobenzofuran-3-carboxylate (691857-46-2) → C21H21FN2O5S (1374229-73-8) + C21H21FN2O5S (1374229-72-7)

Guidance literature:

Multi-step reaction with 10 steps

1.1: N-ethyl-N,N-diisopropylamine / dmap / dichloromethane / 2 h / 0 °C

2.1: triethylamine / (diphenylphosphin)ferrocene; palladium diacetate / N,N-dimethyl-formamide / 2 h / 100 °C / Inert atmosphere

3.1: hydrogenchloride; water / tetrahydrofuran / 0.25 h / 20 °C

4.1: tin(II) chloride dihdyrate / ethyl acetate / 1 h / 80 °C

4.2: 0.5 h / 20 °C

5.1: pyridine / 1 h / 0 - 20 °C

6.1: sodium tetrahydroborate / ethanol; dichloromethane / 2 h / 0 °C

7.1: sodium hydride / tetrahydrofuran; mineral oil / 0.25 h / 0 - 20 °C / Inert atmosphere

7.2: 0 - 20 °C

8.1: water; lithium hydroxide / tetrahydrofuran; methanol / 3 h / 75 °C

8.2: 0 °C / pH 5 - 6

9.1: HATU / N,N-dimethyl-formamide / 1 h / 20 °C

9.2: 0.25 h / 20 °C

10.1: Daicel CHIRALPAK AS-H column / methanol; carbon dioxide / Resolution of racemate

With pyridine; hydrogenchloride; sodium tetrahydroborate; tin(II) chloride dihdyrate; water; sodium hydride; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; dmap; (diphenylphosphin)ferrocene; palladium diacetate; In tetrahydrofuran; methanol; ethanol; dichloromethane; carbon dioxide; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

Reference yield:

ethyl 2-(4-fluorophenyl)-5-isopropoxy-6-nitrobenzofuran-3-carboxylate (691857-07-5) → C21H21FN2O5S (1374229-73-8) + C21H21FN2O5S (1374229-72-7)

Guidance literature:

Multi-step reaction with 11 steps

1.1: boron trichloride / dichloromethane / 1 h / 0 - 20 °C

1.2: Cooling with ice

2.1: N-ethyl-N,N-diisopropylamine / dmap / dichloromethane / 2 h / 0 °C

3.1: triethylamine / (diphenylphosphin)ferrocene; palladium diacetate / N,N-dimethyl-formamide / 2 h / 100 °C / Inert atmosphere

4.1: hydrogenchloride; water / tetrahydrofuran / 0.25 h / 20 °C

5.1: tin(II) chloride dihdyrate / ethyl acetate / 1 h / 80 °C

5.2: 0.5 h / 20 °C

6.1: pyridine / 1 h / 0 - 20 °C

7.1: sodium tetrahydroborate / ethanol; dichloromethane / 2 h / 0 °C

8.1: sodium hydride / tetrahydrofuran; mineral oil / 0.25 h / 0 - 20 °C / Inert atmosphere

8.2: 0 - 20 °C

9.1: water; lithium hydroxide / tetrahydrofuran; methanol / 3 h / 75 °C

9.2: 0 °C / pH 5 - 6

10.1: HATU / N,N-dimethyl-formamide / 1 h / 20 °C

10.2: 0.25 h / 20 °C

11.1: Daicel CHIRALPAK AS-H column / methanol; carbon dioxide / Resolution of racemate

With pyridine; hydrogenchloride; sodium tetrahydroborate; tin(II) chloride dihdyrate; water; boron trichloride; sodium hydride; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; dmap; (diphenylphosphin)ferrocene; palladium diacetate; In tetrahydrofuran; methanol; ethanol; dichloromethane; carbon dioxide; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

Reference yield:

ethyl 2-(4-fluorophenyl)-6-nitro-5-(trifluoromethylsulfonyloxy)benzofuran-3-carboxylate (691857-51-9) → C21H21FN2O5S (1374229-73-8) + C21H21FN2O5S (1374229-72-7)

Guidance literature:

Multi-step reaction with 9 steps

1.1: triethylamine / (diphenylphosphin)ferrocene; palladium diacetate / N,N-dimethyl-formamide / 2 h / 100 °C / Inert atmosphere

2.1: hydrogenchloride; water / tetrahydrofuran / 0.25 h / 20 °C

3.1: tin(II) chloride dihdyrate / ethyl acetate / 1 h / 80 °C

3.2: 0.5 h / 20 °C

4.1: pyridine / 1 h / 0 - 20 °C

5.1: sodium tetrahydroborate / ethanol; dichloromethane / 2 h / 0 °C

6.1: sodium hydride / tetrahydrofuran; mineral oil / 0.25 h / 0 - 20 °C / Inert atmosphere

6.2: 0 - 20 °C

7.1: water; lithium hydroxide / tetrahydrofuran; methanol / 3 h / 75 °C

7.2: 0 °C / pH 5 - 6

8.1: HATU / N,N-dimethyl-formamide / 1 h / 20 °C

8.2: 0.25 h / 20 °C

9.1: Daicel CHIRALPAK AS-H column / methanol; carbon dioxide / Resolution of racemate

With pyridine; hydrogenchloride; sodium tetrahydroborate; tin(II) chloride dihdyrate; water; sodium hydride; triethylamine; HATU; lithium hydroxide; (diphenylphosphin)ferrocene; palladium diacetate; In tetrahydrofuran; methanol; ethanol; dichloromethane; carbon dioxide; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

ethyl 2-(4-fluorophenyl)-5-hydroxy-6-nitrobenzofuran-3-carboxylate

ethyl 2-(4-fluorophenyl)-5-isopropoxy-6-nitrobenzofuran-3-carboxylate

ethyl 2-(4-fluorophenyl)-6-nitro-5-(trifluoromethylsulfonyloxy)benzofuran-3-carboxylate

C₂₃H₂₂FNO₆