(S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid

Base Information

• Chemical Name: (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid
• CAS No.: 367259-51-6
• Molecular Formula: C₄₁H₅₃N₅O₉
• Molecular Weight: 759.9

Synonyms:(S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid

Chemical Property of (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid

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Technology Process of (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid

There total 17 articles about (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid 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: 100.0%

(S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.016,20]henicosa-13(21),14,16(20)-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid tert-butyl ester (367257-84-9) → (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.016,20]henicosa-13(21),14,16(20)-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid (367259-51-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/jm050520a

Reference yield:

2-hydroxy-3-nitrohexanoic acid (367258-42-2) → (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.016,20]henicosa-13(21),14,16(20)-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid (367259-51-6)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 66 percent / H₂; acetic acid / Pd/C / 20 h / 20 °C / 3051.17 Torr

2.1: aq. NaOH / dioxane / 0.17 h / 0 °C

2.2: 89 percent / dioxane; H₂O / 1 h / 0 - 20 °C

3.1: 95 percent / 3-hydroxy-1,2,3-benzotriazin-4(3H)-one; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride; 4-methylmorpholine / dimethylformamide; CH₂Cl₂ / -20 °C

4.1: 98 percent / H₂ / Pd/C / ethanol / 3 h / 20 °C

5.1: 80 percent / 3-hydroxy-1,2,3-benzotriazin-4(3H)-one; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride; 4-methylmorpholine / dimethylformamide; CH₂Cl₂ / -20 °C

6.1: 100 percent / HCl / dioxane; ethyl acetate / 0.25 h / 20 °C

7.1: 80 percent / 3-hydroxy-1,2,3-benzotriazin-4(3H)-one; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride; 4-methylmorpholine / dimethylformamide; CH₂Cl₂ / -20 °C

8.1: 88 percent / Dess-Martin periodinane / CH₂Cl₂ / 4 h / 20 °C

9.1: 100 percent / trifluoroacetic acid / CH₂Cl₂ / 4 h / 20 °C

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

DOI:10.1021/jm050520a

Reference yield:

3-tert-butoxycarbonylamino-2-hydroxyhexanoic acid (166196-06-1) → (S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.016,20]henicosa-13(21),14,16(20)-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid (367259-51-6)

Guidance literature:

Multi-step reaction with 7 steps

1: 95 percent / 3-hydroxy-1,2,3-benzotriazin-4(3H)-one; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride; 4-methylmorpholine / dimethylformamide; CH₂Cl₂ / -20 °C

2: 98 percent / H₂ / Pd/C / ethanol / 3 h / 20 °C

3: 80 percent / 3-hydroxy-1,2,3-benzotriazin-4(3H)-one; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride; 4-methylmorpholine / dimethylformamide; CH₂Cl₂ / -20 °C

4: 100 percent / HCl / dioxane; ethyl acetate / 0.25 h / 20 °C

5: 80 percent / 3-hydroxy-1,2,3-benzotriazin-4(3H)-one; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride; 4-methylmorpholine / dimethylformamide; CH₂Cl₂ / -20 °C

6: 88 percent / Dess-Martin periodinane / CH₂Cl₂ / 4 h / 20 °C

7: 100 percent / trifluoroacetic acid / CH₂Cl₂ / 4 h / 20 °C

With 4-methyl-morpholine; hydrogenchloride; hydrogen; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 3-hydroxy-3,4-dihydrobenzotriazine-4-one; trifluoroacetic acid; palladium on activated charcoal; In 1,4-dioxane; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; 6: Dess-Martin periodinane oxidation;

DOI:10.1021/jm050520a

upstream raw materials:

(S)-(2-{3-[((3S,18S)-3-Cyclohexyl-2,5-dioxo-12-oxa-1,4-diaza-tricyclo[11.5.3.0^16,20]henicosa-13⁽²¹⁾,14,16⁽²⁰⁾-triene-18-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic 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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