[5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester

Base Information

• Chemical Name: [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester
• CAS No.: 859236-04-7
• Molecular Formula: C₅₄H₇₀N₈O₁₀
• Molecular Weight: 991.197

Synonyms:[5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester

Chemical Property of [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester

There total 22 articles about [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl 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:

(2R,3R)-2-tert-Butoxycarbonylamino-3-methylamino-butyric acid methyl ester (859235-88-4) → [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester (859236-04-7)

Guidance literature:

Multi-step reaction with 10 steps

1: 0.135 g / 2,4,6-trimethylpyridine; 7-aza-1-hydroxybenzotriazole / ethyl acetate / 15 h / 20 °C

2: aq. HCl / ethyl acetate / 3 h / 20 °C

3: 0.122 g / 2,4,6-trimethylpyridine; i-Pr₂NEt / acetonitrile / 16 h / 20 °C

4: Et₂NH / acetonitrile / 0.67 h / 20 °C

5: 0.104 mg / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride; 7-aza-1-hydroxybenzotriazole; 2,4,6-trimethylpyridine / CH₂Cl₂ / 16 h / 20 °C

6: 73 percent / aq. tetra-n-butylammonium hydroxide / tetrahydrofuran / 0.75 h / 0 °C

7: 93 percent / O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; 7-aza-1-hydroxybenzotriazole; 2,4,6-trimethylpyridine / i-Pr₂NEt / CH₂Cl₂ / 15 h / 20 °C

8: 98 percent / Bu₄N(+)F(-) / acetonitrile / 2 h / 20 - 55 °C

9: aq. HCl / ethyl acetate / 1 h / 20 °C

10: 31.6 mg / O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; 7-aza-1-hydroxybenzotriazole; i-Pr₂NEt / CH₂Cl₂ / 22 h / 20 °C

With 2,4,6-trimethyl-pyridine; hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; tetrabutyl ammonium fluoride; tetra(n-butyl)ammonium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diethylamine; N-ethyl-N,N-diisopropylamine; HATU; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; ethyl acetate; acetonitrile;

DOI:10.1002/chem.200400977

Reference yield:

(2R,3R)-2-Amino-3-(benzyloxycarbonyl-methyl-amino)-butyric acid methyl ester → [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester (859236-04-7)

Guidance literature:

Multi-step reaction with 12 steps

1: 0.135 g / tetrahydrofuran / 24 h / 20 °C

2: 100 percent / H₂ / Pd/C / ethyl acetate / 3 h / 20 °C

3: 0.135 g / 2,4,6-trimethylpyridine; 7-aza-1-hydroxybenzotriazole / ethyl acetate / 15 h / 20 °C

4: aq. HCl / ethyl acetate / 3 h / 20 °C

5: 0.122 g / 2,4,6-trimethylpyridine; i-Pr₂NEt / acetonitrile / 16 h / 20 °C

6: Et₂NH / acetonitrile / 0.67 h / 20 °C

7: 0.104 mg / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride; 7-aza-1-hydroxybenzotriazole; 2,4,6-trimethylpyridine / CH₂Cl₂ / 16 h / 20 °C

8: 73 percent / aq. tetra-n-butylammonium hydroxide / tetrahydrofuran / 0.75 h / 0 °C

9: 93 percent / O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; 7-aza-1-hydroxybenzotriazole; 2,4,6-trimethylpyridine / i-Pr₂NEt / CH₂Cl₂ / 15 h / 20 °C

10: 98 percent / Bu₄N(+)F(-) / acetonitrile / 2 h / 20 - 55 °C

11: aq. HCl / ethyl acetate / 1 h / 20 °C

12: 31.6 mg / O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; 7-aza-1-hydroxybenzotriazole; i-Pr₂NEt / CH₂Cl₂ / 22 h / 20 °C

With 2,4,6-trimethyl-pyridine; hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; tetrabutyl ammonium fluoride; tetra(n-butyl)ammonium hydroxide; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diethylamine; N-ethyl-N,N-diisopropylamine; HATU; palladium on activated charcoal; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; ethyl acetate; acetonitrile;

DOI:10.1002/chem.200400977

Reference yield:

methyl (2S,3R)-3-(benzyloxycarbonyl-N-methylamino)-2-hydroxybutyrate (859235-83-9) → [5-sec-butyl-18,19-dimethyl-11-(2-nitro-cyclopropylmethyl)-4,7,10,13,16,20-hexaoxo-8,14-bis-(1-phenyl-ethyl)-2-propenyl-eicosahydro-3a,6,9,12,15,19-hexaaza-cyclopentacyclononadecen-17-yl]-carbamic acid 4-methyl-benzyl ester (859236-04-7)

Guidance literature:

Multi-step reaction with 15 steps

1: Et₃N / CH₂Cl₂ / 5 h / -30 - 20 °C

2: 0.191 g / NaN₃ / dimethylformamide / 15 h / 70 °C

3: PPh₃; H₂O / tetrahydrofuran / 24 h / 20 °C

4: 0.135 g / tetrahydrofuran / 24 h / 20 °C

5: 100 percent / H₂ / Pd/C / ethyl acetate / 3 h / 20 °C

6: 0.135 g / 2,4,6-trimethylpyridine; 7-aza-1-hydroxybenzotriazole / ethyl acetate / 15 h / 20 °C

7: aq. HCl / ethyl acetate / 3 h / 20 °C

8: 0.122 g / 2,4,6-trimethylpyridine; i-Pr₂NEt / acetonitrile / 16 h / 20 °C

9: Et₂NH / acetonitrile / 0.67 h / 20 °C

10: 0.104 mg / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride; 7-aza-1-hydroxybenzotriazole; 2,4,6-trimethylpyridine / CH₂Cl₂ / 16 h / 20 °C

11: 73 percent / aq. tetra-n-butylammonium hydroxide / tetrahydrofuran / 0.75 h / 0 °C

12: 93 percent / O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; 7-aza-1-hydroxybenzotriazole; 2,4,6-trimethylpyridine / i-Pr₂NEt / CH₂Cl₂ / 15 h / 20 °C

13: 98 percent / Bu₄N(+)F(-) / acetonitrile / 2 h / 20 - 55 °C

14: aq. HCl / ethyl acetate / 1 h / 20 °C

15: 31.6 mg / O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium*PF₆; 7-aza-1-hydroxybenzotriazole; i-Pr₂NEt / CH₂Cl₂ / 22 h / 20 °C

With 2,4,6-trimethyl-pyridine; hydrogenchloride; sodium azide; 1-hydroxy-7-aza-benzotriazole; tetrabutyl ammonium fluoride; tetra(n-butyl)ammonium hydroxide; water; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diethylamine; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; HATU; palladium on activated charcoal; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/chem.200400977

upstream raw materials:

(2R,3R)-2-tert-Butoxycarbonylamino-3-methylamino-butyric acid methyl ester

methyl (2S,3R)-3-(benzyloxycarbonyl-N-methylamino)-2-hydroxybutyrate

(2S,3R)-3-(benzyloxycarbonyl-N-methylamino)-2-hydroxybutyric acid

methyl (2S,3R)-2-azido-3-(benzyloxycarbonyl-N-methylamino)butyrate

Downstream raw materials:

C₅₇H₈₂N₁₀O₁₃Si

C₅₈H₇₆ClN₁₁O₁₄

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