N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

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Chemical Name:N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide
CAS No.:879288-21-8
Molecular Formula:C₆₃H₇₇F₂N₅O₁₀S
Molecular Weight:1134.39
Hs Code.:

N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

Synonyms:N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

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Chemical Property of N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

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Technology Process of N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

There total 12 articles about N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide 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:

: 2105-61-5
1,2,4-trifluoro-5-nitrobenzene

: 879288-21-8
N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

Guidance literature:: Multi-step reaction with 11 steps

1.1: 92 percent / methanol

2.1: 91 percent / H₂ / Pd/C / ethanol

3.1: 68 percent / HCl; NaNO₂; NaI / H₂O / 16 h / 0 - 22 °C

4.1: 96 percent / acetonitrile / 0.01 h / microwave irradiation

5.1: 72 percent / BBr₃ / CH₂Cl₂ / 40 °C

6.1: 82 percent / 220 °C

7.1: 65 percent / NaH / dimethylformamide

8.1: iPrMgCl / tetrahydrofuran / 2 h / -20 °C

8.2: tetrahydrofuran / 16 h / -20 - 22 °C

8.3: 72 percent / TFA / CH₂Cl₂ / 2 h / 22 °C

9.1: 99 percent / LiOH / methanol; H₂O / 1 h

10.1: DCC; N-hydroxysuccinimide / tetrahydrofuran / 2 h / 22 °C

11.1: 28.4 mg / K₂CO₃ / dimethylsulfoxide / 24 h / 22 °C

With hydrogenchloride; lithium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; hydrogen; isopropylmagnesium chloride; boron tribromide; sodium hydride; potassium carbonate; dicyclohexyl-carbodiimide; sodium iodide; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetonitrile; 3.1: Sandmeyer reaction;
DOI:10.1021/ol052655g

Reference yield:

: 195136-62-0
1-Fluoro-2,4-dimethoxy-5-nitro-benzene

: 879288-21-8
N-[4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoyl]-β-alanyl-N-(3-{(3β)-cholest-5-en-3-yl[(2-nitrophenyl)sulfonyl]amino}propyl)-β-alaninamide

Guidance literature:: Multi-step reaction with 10 steps

1.1: 91 percent / H₂ / Pd/C / ethanol

2.1: 68 percent / HCl; NaNO₂; NaI / H₂O / 16 h / 0 - 22 °C

3.1: 96 percent / acetonitrile / 0.01 h / microwave irradiation

4.1: 72 percent / BBr₃ / CH₂Cl₂ / 40 °C

5.1: 82 percent / 220 °C

6.1: 65 percent / NaH / dimethylformamide

7.1: iPrMgCl / tetrahydrofuran / 2 h / -20 °C

7.2: tetrahydrofuran / 16 h / -20 - 22 °C

7.3: 72 percent / TFA / CH₂Cl₂ / 2 h / 22 °C

8.1: 99 percent / LiOH / methanol; H₂O / 1 h

9.1: DCC; N-hydroxysuccinimide / tetrahydrofuran / 2 h / 22 °C

10.1: 28.4 mg / K₂CO₃ / dimethylsulfoxide / 24 h / 22 °C

With hydrogenchloride; lithium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; hydrogen; isopropylmagnesium chloride; boron tribromide; sodium hydride; potassium carbonate; dicyclohexyl-carbodiimide; sodium iodide; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetonitrile; 2.1: Sandmeyer reaction;
DOI:10.1021/ol052655g