(3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

Base Information

Chemical Name:(3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide
CAS No.:1448902-69-9
Molecular Formula:C₃₁H₄₆ClN₅O₅S
Molecular Weight:636.256
Hs Code.:

Synonyms:(3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

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Chemical Property of (3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

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Technology Process of (3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

There total 9 articles about (3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide 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: 52.0%

: 1448902-68-8
(3S,5R)-5-[(1,1-dimethyl-2-oxoethyl)amino]-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

: 95-51-2
o-chloroaniline

: 1448902-69-9
(3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

Guidance literature:: (3S,5R)-5-[(1,1-dimethyl-2-oxoethyl)amino]-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide; o-chloroaniline; With acetic acid; In toluene; at 130 ℃; for 1.5h; Dean-Stark;

With sodium tris(acetoxy)borohydride; In toluene; at 20 ℃; for 16h; Dean-Stark;
DOI:10.1016/j.bmc.2013.06.057

Reference yield:

: (3S,5R)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)piperidine-3-carboxylic acid

: 1448902-69-9
(3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

Guidance literature:: Multi-step reaction with 9 steps

1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 18 h / 20 °C / Cooling with ice

2.1: trifluoroacetic acid / dichloromethane / 1.5 h / 20 °C

3.1: triethylamine / dichloromethane / 18 h / 20 °C

4.1: sodium hydroxide / methanol / 1 h / 60 °C

5.1: diphenylphosphoranyl azide / toluene / 2 h / 90 °C

5.2: 24 h / 90 °C

6.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / 50 °C

7.1: dichloromethane / 2 h / 20 °C

7.2: 2 h / 20 °C

7.3: 48 h / 65 °C

8.1: hydrogenchloride / water; dichloromethane / 21 h / 40 °C

9.1: acetic acid / toluene / 1.5 h / 130 °C / Dean-Stark

9.2: 16 h / 20 °C / Dean-Stark

With hydrogenchloride; diphenylphosphoranyl azide; tetrabutyl ammonium fluoride; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1016/j.bmc.2013.06.057

Reference yield:

: 1448902-64-4
methyl (3R,5S)-5-[(1-isobutyl-3-methylbutyl)carbamoyl]-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxylate

: 1448902-69-9
(3S,5R)-5-{[2-(2-chloroanilino)-1,1-dimethylethyl]amino}-N-(1-isobutyl-3-methylbutyl)-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium hydroxide / methanol / 1 h / 60 °C

2.1: diphenylphosphoranyl azide / toluene / 2 h / 90 °C

2.2: 24 h / 90 °C

3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / 50 °C

4.1: dichloromethane / 2 h / 20 °C

4.2: 2 h / 20 °C

4.3: 48 h / 65 °C

5.1: hydrogenchloride / water; dichloromethane / 21 h / 40 °C

6.1: acetic acid / toluene / 1.5 h / 130 °C / Dean-Stark

6.2: 16 h / 20 °C / Dean-Stark

With hydrogenchloride; diphenylphosphoranyl azide; tetrabutyl ammonium fluoride; acetic acid; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; toluene;
DOI:10.1016/j.bmc.2013.06.057