(S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Base Information

• Chemical Name: (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide
• CAS No.: 1613043-81-4
• Molecular Formula: C₄₁H₅₀N₈O₈
• Molecular Weight: 782.897

Synonyms:(S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Chemical Property of (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide

There total 11 articles about (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide 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: 90.0%

tert-butyl {(S)-1-{[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-(tert-butoxy)-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]amino}-3-[4-(tert-butoxy)phenyl]-1-oxopropan-2-yl}carbamate (1613043-80-3) → (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide (1613043-81-4)

Guidance literature:

With chlorotriisopropylsilane; water; trifluoroacetic acid; at 0 ℃; for 2h;

DOI:10.1002/ejoc.201301773

Reference yield:

L-valine tert-butylester hydrochloride (13518-40-6) → (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide (1613043-81-4)

Guidance literature:

Multi-step reaction with 11 steps

1: triethylamine / dichloromethane / 20 h / 20 °C

2: trifluoroacetic acid / dichloromethane / 3 h / 0 °C

3: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / dichloromethane / 24 h / 20 °C

4: potassium carbonate / N,N-dimethyl-formamide / 48 h / 60 °C

5: lithium hydroxide / tetrahydrofuran / 3 h / 20 °C

6: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; benzotriazol-1-ol; water / N,N-dimethyl-formamide / 18 h / 20 °C

7: potassium carbonate; thiophenol / acetonitrile / 4 h / 20 °C

8: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C

9: piperidine / dichloromethane / 5 h / 20 °C

10: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / acetonitrile; N,N-dimethyl-formamide / 24 h / 20 °C

11: trifluoroacetic acid; chlorotriisopropylsilane; water / 2 h / 0 °C

With piperidine; chlorotriisopropylsilane; water; potassium carbonate; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; thiophenol; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; lithium hydroxide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/ejoc.201301773

Reference yield:

(S)-3-methyl-2-(2-nitrophenylsulfonamido)butanoic acid (199783-36-3) → (S)-2-amino-N-[(S)-1-({(S)-1-[(S)-4-{(S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-isopropyl-3-oxopiperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl}amino)-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide (1613043-81-4)

Guidance literature:

Multi-step reaction with 9 steps

1: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / dichloromethane / 24 h / 20 °C

2: potassium carbonate / N,N-dimethyl-formamide / 48 h / 60 °C

3: lithium hydroxide / tetrahydrofuran / 3 h / 20 °C

4: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; benzotriazol-1-ol; water / N,N-dimethyl-formamide / 18 h / 20 °C

5: potassium carbonate; thiophenol / acetonitrile / 4 h / 20 °C

6: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C

7: piperidine / dichloromethane / 5 h / 20 °C

8: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / acetonitrile; N,N-dimethyl-formamide / 24 h / 20 °C

9: trifluoroacetic acid; chlorotriisopropylsilane; water / 2 h / 0 °C

With piperidine; chlorotriisopropylsilane; water; potassium carbonate; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; thiophenol; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; lithium hydroxide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/ejoc.201301773

upstream raw materials:

L-valine tert-butylester hydrochloride

tert-butyl (S)-3-methyl-2-(2-nitrophenylsulfonamido)butanoate

(S)-3-methyl-2-(2-nitrophenylsulfonamido)butanoic acid

methyl (S)-3-(1H-indol-3-yl)-2-[(S)-3-methyl-2-(2-nitrophenylsulfonamido)butanamido]propanoate

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