(S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester

Base Information

• Chemical Name: (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester
• CAS No.: 371110-87-1
• Molecular Formula: C₄₆H₅₇N₅O₉
• Molecular Weight: 823.987

Synonyms:(S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester

Chemical Property of (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

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Useful:

Technology Process of (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester

There total 14 articles about (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester 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: 42.0%

[12S,9S]-(2-{3-[(12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carbonyl)amino]-2-hydroxyhexanoylamino}acetylamino)-[S]-phenylacetic acid tert-butyl ester (371111-45-4) → (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester (371110-87-1)

Guidance literature:

With Dess-Martin periodane; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/jm0489556

Reference yield:

2-hydroxy-3-nitrohexanoic acid (367258-42-2) → (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester (371110-87-1)

Guidance literature:

Multi-step reaction with 8 steps

1.1: 66 percent / H₂; AcOH / Pd/C / 3051.17 - 3102.89 Torr

2.1: 89 percent / aq. NaOH / dioxane / 0 - 20 °C

3.1: 94 percent / HOBt; N-methylmorpholine; EDCI / CH₂Cl₂; dimethylformamide / 12 h / -20 °C

4.1: H₂ / Pd/C / ethanol / 20 °C

5.1: 2.6 g / HOBt; EDCI*HCl / CH₂Cl₂ / 12 h / -20 °C

6.1: HCl / dioxane; ethyl acetate / 0.25 h / 20 °C

7.1: HOBt; EDCI*HCl; Huenigs base / dimethylformamide / 0.33 h / 0 °C

7.2: 79 mg / dimethylformamide / 12 h / 20 °C

8.1: 42 percent / Dess-Martin periodinane / dimethylformamide / 2 h / 20 °C

With 4-methyl-morpholine; hydrogenchloride; sodium hydroxide; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In 1,4-dioxane; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; 8.1: Dess-Martin oxidation;

DOI:10.1021/jm0489556

Reference yield:

3-tert-butoxycarbonylamino-2-hydroxyhexanoic acid (166196-06-1) → (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester (371110-87-1)

Guidance literature:

Multi-step reaction with 6 steps

1.1: 94 percent / HOBt; N-methylmorpholine; EDCI / CH₂Cl₂; dimethylformamide / 12 h / -20 °C

2.1: H₂ / Pd/C / ethanol / 20 °C

3.1: 2.6 g / HOBt; EDCI*HCl / CH₂Cl₂ / 12 h / -20 °C

4.1: HCl / dioxane; ethyl acetate / 0.25 h / 20 °C

5.1: HOBt; EDCI*HCl; Huenigs base / dimethylformamide / 0.33 h / 0 °C

5.2: 79 mg / dimethylformamide / 12 h / 20 °C

6.1: 42 percent / Dess-Martin periodinane / dimethylformamide / 2 h / 20 °C

With 4-methyl-morpholine; hydrogenchloride; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In 1,4-dioxane; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; 6.1: Dess-Martin oxidation;

DOI:10.1021/jm0489556

upstream raw materials:

[12S,9S]-(2-{3-[(12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carbonyl)amino]-2-hydroxyhexanoylamino}acetylamino)-[S]-phenylacetic acid tert-butyl ester

2-hydroxy-3-nitrohexanoic acid

3-tert-butoxycarbonylamino-2-hydroxyhexanoic acid

({3-[(tert-butoxycarbonyl)amino]-2-hydroxyhexanoyl}amino)acetic acid

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