5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one

Base Information

• Chemical Name: 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one
• CAS No.: 1443005-49-9
• Molecular Formula: C₂₁H₂₉F₂N₅O₄S
• Molecular Weight: 485.555

Synonyms:5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one

Chemical Property of 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one

Chemical Property:

Purity/Quality:

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Technology Process of 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one

There total 9 articles about 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one 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: 95.0%

ethyl dithioacetate (870-73-5) + 5(S)-(aminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one (1443005-45-5) → 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one (1443005-49-9)

Guidance literature:

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

DOI:10.1016/j.ejmech.2013.03.003

Reference yield:

3,4,5-trifluoronitrobenzene (66684-58-0) → 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one (1443005-49-9)

Guidance literature:

Multi-step reaction with 8 steps

1.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 16 h / Reflux

2.1: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 20 °C / 760.05 Torr

3.1: sodium carbonate / methanol / 0.5 h

4.1: n-butyllithium / hexane; tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere

4.2: 23.17 h / -78 - 20 °C / Inert atmosphere

5.1: triethylamine / dichloromethane / 0.17 h / 0 - 20 °C

6.1: sodium azide / N,N-dimethyl-formamide / 4 h / 80 - 90 °C

7.1: palladium 10% on activated carbon; hydrogen / methanol / 42 h / 20 °C / 760.05 Torr

8.1: triethylamine / tetrahydrofuran / 20 h / 20 °C

With n-butyllithium; sodium azide; palladium 10% on activated carbon; hydrogen; sodium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/j.ejmech.2013.03.003

Reference yield:

5-(2,6-difluoro-4-nitrophenyl)[1,2,5]triazepane-1-carboxylic acid tert-butyl ester (1443005-31-9) → 5(S)-(thioacetylaminomethyl)-3-(3,5-difluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one (1443005-49-9)

Guidance literature:

Multi-step reaction with 7 steps

1.1: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 20 °C / 760.05 Torr

2.1: sodium carbonate / methanol / 0.5 h

3.1: n-butyllithium / hexane; tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere

3.2: 23.17 h / -78 - 20 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 0.17 h / 0 - 20 °C

5.1: sodium azide / N,N-dimethyl-formamide / 4 h / 80 - 90 °C

6.1: palladium 10% on activated carbon; hydrogen / methanol / 42 h / 20 °C / 760.05 Torr

7.1: triethylamine / tetrahydrofuran / 20 h / 20 °C

With n-butyllithium; sodium azide; palladium 10% on activated carbon; hydrogen; sodium carbonate; triethylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2013.03.003

upstream raw materials:

3,4,5-trifluoronitrobenzene

5-(2,6-difluoro-4-nitrophenyl)[1,2,5]triazepane-1-carboxylic acid tert-butyl ester

5-(4-benzyloxycarbonylamino-2,6-difluorophenyl)[1,2,5]triazepane-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester

5(R)-(hydroxymethyl)-3-(3,5-difluoro-4-(1-(benzyloxycarbonyl)-2-(tert-butoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one

Downstream raw materials:

(S)-N-((3-(3,5-difluoro-4-(1-(hydroxyacetyl)[1,2,5]triazepan-5-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)thioacetamide

(S)-N-((3-(3,5-difluoro-4-(1-carbamoyl-[1,2,5]triazepan-5-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)thioacetamide

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