(3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide

Base Information

• Chemical Name: (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide
• CAS No.: 1367877-45-9
• Molecular Formula: C₂₇H₃₃FN₂O₄S
• Molecular Weight: 500.634

Synonyms:(3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide

Chemical Property of (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide

There total 12 articles about (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide 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: 93.0%

(3aR,7S,7aS)-7-(4-amino-3-fluoro-5-iodo-benzyl)-3-(3-tert-butyl-benzyl)-hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide (1204343-71-4) + cyclopropylboronic acid (411235-57-9) → (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide (1367877-45-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In water; toluene; at 105 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm300069y

Reference yield:

tert-butyl ((3R,4S,5S)-5-(3-fluoro-4-nitrobenzyl)-4-hydroxy-1,1-dioxidotetrahydro-hydro-2H-thiopyran-3-yl)carbamate (1367876-83-2) → (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide (1367877-45-9)

Guidance literature:

Multi-step reaction with 6 steps

1.1: hydrogenchloride / 1,4-dioxane / 1.5 h / 25 - 40 °C / Inert atmosphere

2.1: sodium acetate / methanol; dichloromethane / 0.5 h / 25 °C / Inert atmosphere

2.2: 2 h / Inert atmosphere

2.3: 0.25 h / Inert atmosphere

3.1: dmap; N-ethyl-N,N-diisopropylamine / acetonitrile / 16 h / Inert atmosphere

4.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran / 16 h

5.1: N,N,N-trimethylbenzenemethanaminium dichloroiodate; calcium carbonate / methanol; chloroform / 16 h / 60 °C / Inert atmosphere

6.1: bis-triphenylphosphine-palladium(II) chloride; potassium phosphate / water; toluene / 3 h / 105 °C / Inert atmosphere

With hydrogenchloride; dmap; bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; palladium 10% on activated carbon; hydrogen; sodium acetate; N,N,N-trimethylbenzenemethanaminium dichloroiodate; N-ethyl-N,N-diisopropylamine; calcium carbonate; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; chloroform; water; toluene; acetonitrile; 6.1: Suzuki coupling;

DOI:10.1021/jm300069y

Reference yield:

((3R,4S,5S)-5-(3-fluoro-4-nitrobenzyl)-4-hydroxy-1,1-dioxidotetrahydro-hydro-2H-thiopyran-3-yl)hydrochloride (1368855-98-4) → (3aR,7S,7aS)-7-(4-amino-3-cyclopropyl-5-fluoro-benzyl)-3-(3-tert-butylbenzyl)hexahydro-2H-thiopyrano[3,4-d]xazol-2-one 5,5-dioxide (1367877-45-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium acetate / methanol; dichloromethane / 0.5 h / 25 °C / Inert atmosphere

1.2: 2 h / Inert atmosphere

1.3: 0.25 h / Inert atmosphere

2.1: dmap; N-ethyl-N,N-diisopropylamine / acetonitrile / 16 h / Inert atmosphere

3.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran / 16 h

4.1: N,N,N-trimethylbenzenemethanaminium dichloroiodate; calcium carbonate / methanol; chloroform / 16 h / 60 °C / Inert atmosphere

5.1: bis-triphenylphosphine-palladium(II) chloride; potassium phosphate / water; toluene / 3 h / 105 °C / Inert atmosphere

With dmap; bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; palladium 10% on activated carbon; hydrogen; sodium acetate; N,N,N-trimethylbenzenemethanaminium dichloroiodate; N-ethyl-N,N-diisopropylamine; calcium carbonate; In tetrahydrofuran; methanol; dichloromethane; chloroform; water; toluene; acetonitrile; 5.1: Suzuki coupling;

DOI:10.1021/jm300069y

upstream raw materials:

tert-butyl ((3R,4S,5S)-5-(3-fluoro-4-nitrobenzyl)-4-hydroxy-1,1-dioxidotetrahydro-hydro-2H-thiopyran-3-yl)carbamate

((3R,4S,5S)-5-(3-fluoro-4-nitrobenzyl)-4-hydroxy-1,1-dioxidotetrahydro-hydro-2H-thiopyran-3-yl)hydrochloride

(3R,4S,5S)-3-((3-(tert-butyl)benzyl)amino)-5-(3-fluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiopyran

(3aR,7S,7aS)-3-(3-(tert-butyl)benzyl)-7-(3-fluoro-4-nitrobenzyl)hexahydro-2H-thiopyrano-[3,4d]oxazol-2-one 5,5-dioxide

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