(2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Base Information

Chemical Name:(2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate
CAS No.:1000049-63-7
Molecular Formula:C₄H₄O₄*C₂₅H₄₀ClFN₄O₃
Molecular Weight:615.142
Hs Code.:

Synonyms:(2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Suppliers and Price of (2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of (2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Chemical Property:

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Technology Process of (2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

There total 14 articles about (2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate 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:

: 1000049-91-1
{(1S,2S,4S)-4-butylcarbamoyl-1-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-ylmethyl]-2-hydroxy-5-methylhexyl}carbamic acid t-butyl ester

: 110-17-8,26099-09-2
(2E)-but-2-enedioic acid

: 1000049-63-7
(2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Guidance literature:: {(1S,2S,4S)-4-butylcarbamoyl-1-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-ylmethyl]-2-hydroxy-5-methylhexyl}carbamic acid t-butyl ester; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

(2E)-but-2-enedioic acid; In methanol; at 20 ℃; for 0.0833333h;
DOI:10.1016/j.bmc.2013.03.022

Reference yield:

: 145589-03-3,104266-90-2
(S)-4-benzyl-3-(3-methylbutanoyl)oxazolidin-2-one

: 1000049-63-7
(2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Guidance literature:: Multi-step reaction with 13 steps

1.1: sodium hexamethyldisilazane / tetrahydrofuran; hexane / 1.25 h / -78 °C / Inert atmosphere

1.2: 5 h / -78 - -40 °C / Inert atmosphere

2.1: dihydrogen peroxide; lithium hydroxide monohydrate / tetrahydrofuran; water / 16.5 h / 0 - 20 °C

3.1: tetra(n-butyl)ammonium hydrogensulfate; Shi's ketone; Oxone; potassium carbonate; edetate disodium / acetonitrile / 9 h / 0 °C

4.1: triethylamine / dichloromethane / 3 h / 0 °C

5.1: sodium azide; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / 72 h / 60 °C

6.1: hydrogenchloride; palladium 10% on activated carbon; hydrogen / ethanol; 1,4-dioxane / 6 h / 20 °C

7.1: triethylamine / tetrahydrofuran; water / 2 h / 0 °C

8.1: diethylazodicarboxylate; triphenylphosphine / tetrahydrofuran; toluene / 0.17 h / 0 °C

9.1: toluene / 1.5 h / 110 °C

10.1: caesium carbonate; thiophenol / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

11.1: triethylamine / dichloromethane / 15 h / 20 °C

12.1: 2-hydroxypyridin / 3 h / 80 °C

13.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C

13.2: 0.08 h / 20 °C

With 2-hydroxypyridin; hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; Oxone; sodium azide; Shi's ketone; lithium hydroxide monohydrate; palladium 10% on activated carbon; hydrogen; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium hexamethyldisilazane; edetate disodium; potassium carbonate; caesium carbonate; thiophenol; triethylamine; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane; ethanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; toluene; acetonitrile; 3.1: |Shi Asymmetric Epoxidation / 8.1: |Mitsunobu Displacement;
DOI:10.1016/j.bmc.2013.03.022

Reference yield:

: 1000045-24-8
(2S,4E)-6-(benzyloxy)-2-isopropylhex-4-enoic acid

: 1000049-63-7
(2S,4S,5S)-5-amino-N-butyl-6-[4-(2-chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanamide fumarate

Guidance literature:: Multi-step reaction with 11 steps

1.1: tetra(n-butyl)ammonium hydrogensulfate; Shi's ketone; Oxone; potassium carbonate; edetate disodium / acetonitrile / 9 h / 0 °C

2.1: triethylamine / dichloromethane / 3 h / 0 °C

3.1: sodium azide; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / 72 h / 60 °C

4.1: hydrogenchloride; palladium 10% on activated carbon; hydrogen / ethanol; 1,4-dioxane / 6 h / 20 °C

5.1: triethylamine / tetrahydrofuran; water / 2 h / 0 °C

6.1: diethylazodicarboxylate; triphenylphosphine / tetrahydrofuran; toluene / 0.17 h / 0 °C

7.1: toluene / 1.5 h / 110 °C

8.1: caesium carbonate; thiophenol / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

9.1: triethylamine / dichloromethane / 15 h / 20 °C

10.1: 2-hydroxypyridin / 3 h / 80 °C

11.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C

11.2: 0.08 h / 20 °C

With 2-hydroxypyridin; hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; Oxone; sodium azide; Shi's ketone; palladium 10% on activated carbon; hydrogen; tetra(n-butyl)ammonium hydrogensulfate; edetate disodium; potassium carbonate; caesium carbonate; thiophenol; triethylamine; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene; acetonitrile; 1.1: |Shi Asymmetric Epoxidation / 6.1: |Mitsunobu Displacement;
DOI:10.1016/j.bmc.2013.03.022