(S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1⁽¹⁶⁾,13⁽¹⁷⁾,14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide

Base Information

• Chemical Name: (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1⁽¹⁶⁾,13⁽¹⁷⁾,14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide
• CAS No.: 171858-47-2
• Molecular Formula: C₄₁H₆₀N₆O₇
• Molecular Weight: 748.963

Synonyms:(S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1⁽¹⁶⁾,13⁽¹⁷⁾,14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide

Chemical Property of (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1⁽¹⁶⁾,13⁽¹⁷⁾,14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide

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Technology Process of (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1⁽¹⁶⁾,13⁽¹⁷⁾,14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide

There total 13 articles about (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1⁽¹⁶⁾,13⁽¹⁷⁾,14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide 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:

t-Boc-L-valine (13734-41-3) → (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide (171858-47-2)

Guidance literature:

Multi-step reaction with 8 steps

1: 1.) <(benzotriazol-1-yloxy)tris(dimethylamino)phosphonium>hexafluorophosphonate, diisopropylethylamine, 2.) diisopropylethylamine / 1.) THF, 5 min, 2.) THF, 30 min

2: 1.) TFA, 2.) <(benzotriazol-1-yloxy)tris(dimethylamino)phosphonium>hexafluorophosphonate, diisopropylethylamine, 3.) diisopropylethylamine

3: 1.) TFA, 2.) diisopropylethylamine, DMAP / 1.) CH₂Cl₂, THF, 2.) THF, RT, 30 min

4: 95 percent / 1 M aq. NaOH / dioxane / 0.5 h / Ambient temperature

5: N-methylpiperidine / tetrahydrofuran; dimethylformamide / 0.08 h / -15 °C

6: N-methylpiperidine / tetrahydrofuran / 3 h / -5 - 20 °C

7: 99 percent / HBr / ethyl acetate

8: diisopropylethylamine / tetrahydrofuran / 4 h / Ambient temperature

With N-methylcyclohexylamine; dmap; sodium hydroxide; hydrogen bromide; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/ja00146a007

Reference yield:

N-(tert-butyloxycarbonyl)-L-isoleucine (13139-16-7) → (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide (171858-47-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) <(benzotriazol-1-yloxy)tris(dimethylamino)phosphonium>hexafluorophosphonate, diisopropylethylamine, 2.) diisopropylethylamine / 1.) THF, 5 min, 2.) THF, 30 min

2: 1.) TFA, 2.) <(benzotriazol-1-yloxy)tris(dimethylamino)phosphonium>hexafluorophosphonate, diisopropylethylamine, 3.) diisopropylethylamine

3: 75 percent / NaOMe / methanol / 96 h / Ambient temperature

4: TFA / CH₂Cl₂ / 0.5 h / Ambient temperature

5: diisopropylethylamine / tetrahydrofuran / 4 h / Ambient temperature

With sodium methylate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/ja00146a007

Reference yield:

N-tert-butoxycarbonyl-L-valyl-L-phenylalanine methyl ester (20902-47-0) → (S)-2-Acetylamino-4-methyl-pentanoic acid ((S)-1-{(S)-1-benzyl-3-[(8S,11S)-8-((S)-sec-butyl)-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-ylamino]-2-oxo-propylcarbamoyl}-2-methyl-propyl)-amide (171858-47-2)

Guidance literature:

Multi-step reaction with 7 steps

1: 1.) TFA, 2.) <(benzotriazol-1-yloxy)tris(dimethylamino)phosphonium>hexafluorophosphonate, diisopropylethylamine, 3.) diisopropylethylamine

2: 1.) TFA, 2.) diisopropylethylamine, DMAP / 1.) CH₂Cl₂, THF, 2.) THF, RT, 30 min

3: 95 percent / 1 M aq. NaOH / dioxane / 0.5 h / Ambient temperature

4: N-methylpiperidine / tetrahydrofuran; dimethylformamide / 0.08 h / -15 °C

5: N-methylpiperidine / tetrahydrofuran / 3 h / -5 - 20 °C

6: 99 percent / HBr / ethyl acetate

7: diisopropylethylamine / tetrahydrofuran / 4 h / Ambient temperature

With N-methylcyclohexylamine; dmap; sodium hydroxide; hydrogen bromide; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/ja00146a007

upstream raw materials:

11-amino-7,10-dioxo-8-(1-methylpropyl)-2-oxa-6,9-diazabicyclo<11.2.2>heptadeca-13,15,16-triene

(S)-2-<<(acetyl)-(S)-leucinyl-(S)-valinyl>amino>-1-bromo-3-phenylbutan-2-one

t-Boc-L-valine

N-(tert-butyloxycarbonyl)-L-isoleucine

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