C₆₃H₅₇ClF₃N₅O₁₅S

Base Information

• Chemical Name: C₆₃H₅₇ClF₃N₅O₁₅S
• CAS No.: 218902-05-7
• Molecular Formula: C₆₃H₅₇ClF₃N₅O₁₅S
• Molecular Weight: 1248.68

Synonyms:C₆₃H₅₇ClF₃N₅O₁₅S

Chemical Property of C₆₃H₅₇ClF₃N₅O₁₅S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₆₃H₅₇ClF₃N₅O₁₅S

There total 27 articles about C₆₃H₅₇ClF₃N₅O₁₅S 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:

3-chloro-4-fluoro-5-nitro-benzaldehyde → C63H57ClF3N5O15S (218902-05-7)

Guidance literature:

Multi-step reaction with 24 steps

1: 1.) Sn(OTf)2, N-ethylpiperidine / 1.) THF, -78 deg C

2: DMAP / CH₂Cl₂

3: HCO₂H, H₂O₂ / H₂O

4: LiOOH / -5 °C

5: EDCI*HCl, HOBt / CH₂Cl₂; dimethylformamide / 0 °C

6: Li₂CO₃ / methanol / Ambient temperature

7: TFA, Me₂S / CH₂Cl₂ / 0 °C

8: EDCI*HCl, HOBt / tetrahydrofuran / 0 °C

9: TFA, Me₂S / CH₂Cl₂ / 0 °C

10: 2,6-lutidine / CH₂Cl₂ / Ambient temperature

11: 65 percent / VOF₃, BF₃*Et₂O, AgBF₄ / trifluoroacetic acid; CH₂Cl₂ / 0 °C

12: NaHCO₃, H₂O / methanol / 144 h / Ambient temperature

13: HATU, HOAt, collidine / CH₂Cl₂; dimethylformamide / 16 h / -20 °C

14: 85 percent / HF*pyridine / tetrahydrofuran / 1 h / Ambient temperature

15: Na₂CO₃ / dimethylsulfoxide / 1.5 h / Ambient temperature

16: 1 h

17: Zn, HOAc / ethanol / 40 °C

18: NaNO₂, H₃PO₂, H₂O / Cu₂O / tetrahydrofuran / 1 h / 0 °C

19: 87 percent / Et₃N, HCO₂H / 2>*CH₂Cl₂ / dimethylformamide / 75 °C

20: Et₃N / tetrahydrofuran / Ambient temperature

21: TFA, Me₂S / CH₂Cl₂ / 0 °C

22: 2,6-lutidine / CH₂Cl₂ / 0 - 20 °C

23: 1.) AlBr₃, EtSH / 1.) CH₂Cl₂, 0 deg C, 2.) MeOH, 55 deg C, 24 h

24: Cs₂CO₃, Bu₄NI / dimethylformamide / 0 °C

With 1-ethyl-piperidine; 2,6-dimethylpyridine; 2,3,5-trimethyl-pyridine; dmap; silver tetrafluoroborate; tin(II) trifluoromethanesulfonate; formic acid; 1-hydroxy-7-aza-benzotriazole; aluminum tri-bromide; vanadium(V) oxytrifluoride; lithium hydroperoxide; dimethylsulfide; boron trifluoride diethyl etherate; water; dihydrogen peroxide; hypophosphorous acid; tetra-(n-butyl)ammonium iodide; lithium carbonate; sodium hydrogencarbonate; sodium carbonate; benzotriazol-1-ol; caesium carbonate; pyridine hydrogenfluoride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; ethanethiol; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; zinc; sodium nitrite; copper(I) oxide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; trifluoroacetic acid;

DOI:10.1002/(SICI)1521-3773(19981016)37:19<2700::AID-ANIE2700>3.0.CO;2-P

Reference yield:

2-amino-2-(3,5-dimethoxy-phenyl)-N-methyl-acetamide (1026848-12-3) → C63H57ClF3N5O15S (218902-05-7)

Guidance literature:

Multi-step reaction with 20 steps

1: EDCI*HCl, HOBt / CH₂Cl₂; dimethylformamide / 0 °C

2: Li₂CO₃ / methanol / Ambient temperature

3: TFA, Me₂S / CH₂Cl₂ / 0 °C

4: EDCI*HCl, HOBt / tetrahydrofuran / 0 °C

5: TFA, Me₂S / CH₂Cl₂ / 0 °C

6: 2,6-lutidine / CH₂Cl₂ / Ambient temperature

7: 65 percent / VOF₃, BF₃*Et₂O, AgBF₄ / trifluoroacetic acid; CH₂Cl₂ / 0 °C

8: NaHCO₃, H₂O / methanol / 144 h / Ambient temperature

9: HATU, HOAt, collidine / CH₂Cl₂; dimethylformamide / 16 h / -20 °C

10: 85 percent / HF*pyridine / tetrahydrofuran / 1 h / Ambient temperature

11: Na₂CO₃ / dimethylsulfoxide / 1.5 h / Ambient temperature

12: 1 h

13: Zn, HOAc / ethanol / 40 °C

14: NaNO₂, H₃PO₂, H₂O / Cu₂O / tetrahydrofuran / 1 h / 0 °C

15: 87 percent / Et₃N, HCO₂H / 2>*CH₂Cl₂ / dimethylformamide / 75 °C

16: Et₃N / tetrahydrofuran / Ambient temperature

17: TFA, Me₂S / CH₂Cl₂ / 0 °C

18: 2,6-lutidine / CH₂Cl₂ / 0 - 20 °C

19: 1.) AlBr₃, EtSH / 1.) CH₂Cl₂, 0 deg C, 2.) MeOH, 55 deg C, 24 h

20: Cs₂CO₃, Bu₄NI / dimethylformamide / 0 °C

With 2,6-dimethylpyridine; 2,3,5-trimethyl-pyridine; silver tetrafluoroborate; formic acid; 1-hydroxy-7-aza-benzotriazole; aluminum tri-bromide; vanadium(V) oxytrifluoride; dimethylsulfide; boron trifluoride diethyl etherate; water; hypophosphorous acid; tetra-(n-butyl)ammonium iodide; lithium carbonate; sodium hydrogencarbonate; sodium carbonate; benzotriazol-1-ol; caesium carbonate; pyridine hydrogenfluoride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; ethanethiol; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; zinc; sodium nitrite; copper(I) oxide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; methanol; ethanol; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; trifluoroacetic acid;

DOI:10.1002/(SICI)1521-3773(19981016)37:19<2700::AID-ANIE2700>3.0.CO;2-P

Reference yield:

(4S,5R)-5-(3-Chloro-4-fluoro-5-nitro-phenyl)-2-oxo-oxazolidine-3,4-dicarboxylic acid 3-tert-butyl ester (218902-08-0) → C63H57ClF3N5O15S (218902-05-7)

Guidance literature:

Multi-step reaction with 20 steps

1: EDCI*HCl, HOBt / CH₂Cl₂; dimethylformamide / 0 °C

2: Li₂CO₃ / methanol / Ambient temperature

3: TFA, Me₂S / CH₂Cl₂ / 0 °C

4: EDCI*HCl, HOBt / tetrahydrofuran / 0 °C

5: TFA, Me₂S / CH₂Cl₂ / 0 °C

6: 2,6-lutidine / CH₂Cl₂ / Ambient temperature

7: 65 percent / VOF₃, BF₃*Et₂O, AgBF₄ / trifluoroacetic acid; CH₂Cl₂ / 0 °C

8: NaHCO₃, H₂O / methanol / 144 h / Ambient temperature

9: HATU, HOAt, collidine / CH₂Cl₂; dimethylformamide / 16 h / -20 °C

10: 85 percent / HF*pyridine / tetrahydrofuran / 1 h / Ambient temperature

11: Na₂CO₃ / dimethylsulfoxide / 1.5 h / Ambient temperature

12: 1 h

13: Zn, HOAc / ethanol / 40 °C

14: NaNO₂, H₃PO₂, H₂O / Cu₂O / tetrahydrofuran / 1 h / 0 °C

15: 87 percent / Et₃N, HCO₂H / 2>*CH₂Cl₂ / dimethylformamide / 75 °C

16: Et₃N / tetrahydrofuran / Ambient temperature

17: TFA, Me₂S / CH₂Cl₂ / 0 °C

18: 2,6-lutidine / CH₂Cl₂ / 0 - 20 °C

19: 1.) AlBr₃, EtSH / 1.) CH₂Cl₂, 0 deg C, 2.) MeOH, 55 deg C, 24 h

20: Cs₂CO₃, Bu₄NI / dimethylformamide / 0 °C

With 2,6-dimethylpyridine; 2,3,5-trimethyl-pyridine; silver tetrafluoroborate; formic acid; 1-hydroxy-7-aza-benzotriazole; aluminum tri-bromide; vanadium(V) oxytrifluoride; dimethylsulfide; boron trifluoride diethyl etherate; water; hypophosphorous acid; tetra-(n-butyl)ammonium iodide; lithium carbonate; sodium hydrogencarbonate; sodium carbonate; benzotriazol-1-ol; caesium carbonate; pyridine hydrogenfluoride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; ethanethiol; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; zinc; sodium nitrite; copper(I) oxide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; methanol; ethanol; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; trifluoroacetic acid;

DOI:10.1002/(SICI)1521-3773(19981016)37:19<2700::AID-ANIE2700>3.0.CO;2-P

upstream raw materials:

benzyl bromide

C₄₂H₃₉ClF₃N₅O₁₅S

pivaloyl chloride

2-amino-2-(3,5-dimethoxy-phenyl)-N-methyl-acetamide

Downstream raw materials:

C₅₈H₄₉ClF₃N₅O₁₄S

C₆₁H₅₃ClF₃N₅O₁₄S

C₅₈H₅₂ClN₅O₁₁

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