3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

Base Information

Chemical Name:3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide
CAS No.:868287-50-7
Molecular Formula:C₃₄H₃₉FN₄O₆S
Molecular Weight:650.771
Hs Code.:

Synonyms:3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

Chemical Property:

Purity/Quality:: 98% ^*data from raw suppliers

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Technology Process of 3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

There total 15 articles about 3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide 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:

: (R)-2-tert-butoxycarbonylamino-2-methyl-3-phenylpropanal oxime

: 868287-49-4
3-(N-methyl-N-(methylsulfonyl)amino)-5-ethynyl-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

: 868287-50-7
3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

Guidance literature:: (R)-2-tert-butoxycarbonylamino-2-methyl-3-phenylpropanal oxime; With N-Bromosuccinimide; In DMF (N,N-dimethyl-formamide); at 5 ℃; for 1h;

3-(N-methyl-N-(methylsulfonyl)amino)-5-ethynyl-N-((R)-1-(4-fluorophenyl)ethyl)benzamide; With triethylamine; In DMF (N,N-dimethyl-formamide); at 20 - 50 ℃; for 168h;

Reference yield:

: 695216-00-3
3-[(methylsulfonyl)amino]-5-nitrobenzoic acid methyl ester

: 868287-50-7
3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

Guidance literature:: Multi-step reaction with 8 steps

1.1: sodium hydride / DMF (N,N-dimethyl-formamide) / 3 h / 20 °C

2.1: methanol; sodium hydroxide / tetrahydrofuran / 1.5 h / 20 °C

2.2: 20 °C / pH < 1

3.1: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 65 h / 20 °C

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

5.1: tetrafluoroboric acid / water; acetonitrile / 0.67 h / 0 - 20 °C

5.2: 1 h / 0 °C

6.1: diisopropylamine / tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; bis(tri-t-butylphosphine)palladium⁽⁰⁾ / 1,4-dioxane / 20 - 60 °C

7.1: methanol; potassium carbonate / 2 h / 20 °C

8.1: N-Bromosuccinimide / DMF (N,N-dimethyl-formamide) / 1 h / 5 °C

8.2: 168 h / 20 - 50 °C

With methanol; sodium hydroxide; N-Bromosuccinimide; tetrafluoroboric acid; 1-hydroxy-7-aza-benzotriazole; hydrogen; sodium hydride; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diisopropylamine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; bis(tri-t-butylphosphine)palladium⁽⁰⁾; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; DMF (N,N-dimethyl-formamide); ethanol; dichloromethane; water; acetonitrile; 6.1: Sonogashira Coupling;

Reference yield:

: 695216-01-4
3-[methyl(methylsulfonyl)amino]-5-nitrobenzoic acid methyl ester

: 868287-50-7
3-(N-methyl-N-(methylsulfonyl)amino)-5-(3-((R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)isoxazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide

Guidance literature:: Multi-step reaction with 7 steps

1.1: methanol; sodium hydroxide / tetrahydrofuran / 1.5 h / 20 °C

1.2: 20 °C / pH < 1

2.1: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 65 h / 20 °C

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

4.1: tetrafluoroboric acid / water; acetonitrile / 0.67 h / 0 - 20 °C

4.2: 1 h / 0 °C

5.1: diisopropylamine / tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; bis(tri-t-butylphosphine)palladium⁽⁰⁾ / 1,4-dioxane / 20 - 60 °C

6.1: methanol; potassium carbonate / 2 h / 20 °C

7.1: N-Bromosuccinimide / DMF (N,N-dimethyl-formamide) / 1 h / 5 °C

7.2: 168 h / 20 - 50 °C

With methanol; sodium hydroxide; N-Bromosuccinimide; tetrafluoroboric acid; 1-hydroxy-7-aza-benzotriazole; hydrogen; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diisopropylamine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; bis(tri-t-butylphosphine)palladium⁽⁰⁾; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; DMF (N,N-dimethyl-formamide); ethanol; dichloromethane; water; acetonitrile; 5.1: Sonogashira Coupling;