2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

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Chemical Name:2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid
CAS No.:439904-23-1
Molecular Formula:C₃₄H₃₅N₃O₉
Molecular Weight:629.667
Hs Code.:

Synonyms:2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

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Chemical Property of 2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

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Technology Process of 2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

There total 8 articles about 2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic 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: 85.6%

: [4-[2-(acetylamino)-3-[[(3S)-1-[[1,1'-(biphenyl)-4-yl]methyl]-2-oxohexahydro-1H-azepin-3-yl]amino]3-oxo-1-propenyl]-2-carboxyphenyl]propanedioic acid 1,3-bis(1,1-dimethylethyl) ester

: 439904-23-1
2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

Guidance literature:: With 98percent aq. HCOOH; at 20 ℃; for 2h;
DOI:10.1021/jm010927p

Reference yield:

: 14192-12-2
2,5-diiodobenzoic acid

: 439904-23-1
2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

Guidance literature:: Multi-step reaction with 8 steps

1.1: 74.9 percent / SOCl₂ / 23 h / Heating

2.1: NaH / dioxane / 0.5 h / 20 °C

2.2: CuBr / dioxane / 0.25 h / 20 °C

2.3: 70.8 percent / dioxane / 16 h / Heating

3.1: Et₃N; Pd(OAc)2; tri-o-tolylphosphine / acetonitrile / 30 h / Heating

4.1: aq. LiOH / tetrahydrofuran / 1.5 h / 20 °C

5.1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole / CH₂Cl₂; dimethylformamide / 0.5 h / 20 °C

5.2: 44.15 percent / CH₂Cl₂ / 16 h / 20 °C

6.1: 74.5 percent / H₂ / 10percent Pd/C / methanol / 96 h / 1320.13 Torr

7.1: 61 percent / aq. NaOH / tetrahydrofuran / 7.5 h / 50 °C

8.1: 85.6 percent / 98percent aq. HCOOH / 2 h / 20 °C

With palladium diacetate; lithium hydroxide; sodium hydroxide; thionyl chloride; hydrogen; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; tris-(o-tolyl)phosphine; 10percent Pd/C; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm010927p

Reference yield:

: 14192-13-3
methyl 2,5-diiodobenzoate

: 439904-23-1
2-{4-[2-Acetylamino-2-((S)-1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid

Guidance literature:: Multi-step reaction with 7 steps

1.1: NaH / dioxane / 0.5 h / 20 °C

1.2: CuBr / dioxane / 0.25 h / 20 °C

1.3: 70.8 percent / dioxane / 16 h / Heating

2.1: Et₃N; Pd(OAc)2; tri-o-tolylphosphine / acetonitrile / 30 h / Heating

3.1: aq. LiOH / tetrahydrofuran / 1.5 h / 20 °C

4.1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole / CH₂Cl₂; dimethylformamide / 0.5 h / 20 °C

4.2: 44.15 percent / CH₂Cl₂ / 16 h / 20 °C

5.1: 74.5 percent / H₂ / 10percent Pd/C / methanol / 96 h / 1320.13 Torr

6.1: 61 percent / aq. NaOH / tetrahydrofuran / 7.5 h / 50 °C

7.1: 85.6 percent / 98percent aq. HCOOH / 2 h / 20 °C

With palladium diacetate; lithium hydroxide; sodium hydroxide; hydrogen; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; tris-(o-tolyl)phosphine; 10percent Pd/C; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm010927p