2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

Base Information

Chemical Name:2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester
CAS No.:641638-42-8
Molecular Formula:C₅₅H₇₄N₄O₁₀
Molecular Weight:951.213
Hs Code.:

2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

Synonyms:2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

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Chemical Property of 2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

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Technology Process of 2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

There total 7 articles about 2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-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: 70.0%

: 401810-35-3
(2S)-N-[(2S)-2-(naphthylmethyl)pent-4-enyl]-2-[(aminocyclohexyl)carbonylamino]-3-carbamoylpropanamide

: 641638-41-7
(2S,3S)-3-(4-{bis[(tert-butyl)oxycarbonyl]methyl}-phenyl)-2-{[(tert-butyl)oxycarbonyl]methyl}-pent-4-enoic acid

: 641638-42-8
2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

Guidance literature:: With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 - 50 ℃; for 25.5h;
DOI:10.1021/jm030510e

Reference yield:

: 541-16-2
t-butyl malonate

: 641638-42-8
2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium hydride; hexamethylphosphoramide / dioxane / 1 h / 20 °C

1.2: 75 percent / CuBr / dioxane / 3 h / Heating

2.1: 87 percent / Et₃N; Pd(OAc)2; (o-tolyl)3P / 16 h / Heating

3.1: PhSCu / diethyl ether; tetrahydrofuran / 0.33 h / -40 °C

3.2: 58 percent / tetrahydrofuran; diethyl ether / 3 h / -40 °C

4.1: N-sodiohexamethyldisilazane / tetrahydrofuran / 1 h / -78 °C

4.2: 53 percent / tetrahydrofuran / 4 h / -78 °C

5.1: 73 percent / LiOH; aq. H₂O₂ / tetrahydrofuran / 2.5 h / 0 °C

6.1: 70 percent / 1-hydroxy-7-azabenzotriazole; 1-ethyl-3-(3'-dimethylamino)propyl)carbodiimide*HCl / dimethylformamide / 25.5 h / 20 - 50 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; palladium diacetate; lithium hydroxide; 1-hydroxy-7-aza-benzotriazole; dihydrogen peroxide; sodium hexamethyldisilazane; copper(I) thiophenolate; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; tris-(o-tolyl)phosphine; In tetrahydrofuran; 1,4-dioxane; diethyl ether; N,N-dimethyl-formamide;
DOI:10.1021/jm030510e

Reference yield:

: 589-87-7
1,4-bromoiodobenzene

: 641638-42-8
2-{4-[(S)-1-((S)-2-tert-Butoxycarbonyl-1-{1-[(S)-2-carbamoyl-1-((S)-2-naphthalen-1-ylmethyl-pent-4-enylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-allyl]-phenyl}-malonic acid di-tert-butyl ester

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium hydride; hexamethylphosphoramide / dioxane / 1 h / 20 °C

1.2: 75 percent / CuBr / dioxane / 3 h / Heating

2.1: 87 percent / Et₃N; Pd(OAc)2; (o-tolyl)3P / 16 h / Heating

3.1: PhSCu / diethyl ether; tetrahydrofuran / 0.33 h / -40 °C

3.2: 58 percent / tetrahydrofuran; diethyl ether / 3 h / -40 °C

4.1: N-sodiohexamethyldisilazane / tetrahydrofuran / 1 h / -78 °C

4.2: 53 percent / tetrahydrofuran / 4 h / -78 °C

5.1: 73 percent / LiOH; aq. H₂O₂ / tetrahydrofuran / 2.5 h / 0 °C

6.1: 70 percent / 1-hydroxy-7-azabenzotriazole; 1-ethyl-3-(3'-dimethylamino)propyl)carbodiimide*HCl / dimethylformamide / 25.5 h / 20 - 50 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; palladium diacetate; lithium hydroxide; 1-hydroxy-7-aza-benzotriazole; dihydrogen peroxide; sodium hexamethyldisilazane; copper(I) thiophenolate; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; tris-(o-tolyl)phosphine; In tetrahydrofuran; 1,4-dioxane; diethyl ether; N,N-dimethyl-formamide;
DOI:10.1021/jm030510e