C₄₅H₆₉F₂N₉O₇

Base Information

• Chemical Name: C₄₅H₆₉F₂N₉O₇
• CAS No.: 1370259-79-2
• Molecular Formula: C₄₅H₆₉F₂N₉O₇
• Molecular Weight: 886.096
• Mol file: 1370259-79-2.mol

Synonyms:C₄₅H₆₉F₂N₉O₇

Chemical Property of C₄₅H₆₉F₂N₉O₇

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₅H₆₉F₂N₉O₇

There total 17 articles about C₄₅H₆₉F₂N₉O₇ 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: 81.0%

2-(2-(methylamino)-2-oxoethoxy)acetic acid (63449-71-8) + 4,4-difluorocyclohexanecarboxamide N-{1-(4-{2-[(7-aminoheptylcarbamoyl)methoxy]acetylamino}phenyl)-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl} (1370259-96-3) → C45H69F2N9O7 (1370259-79-2)

Guidance literature:

methylaminocarbonylmethoxyacetic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; for 0.25h; Inert atmosphere; Cooling with ice; Molecular sieve;

4,4-difluorocyclohexanecarboxamide N-{1-(4-{2-[(7-aminoheptylcarbamoyl)methoxy]acetylamino}phenyl)-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere; Molecular sieve;

DOI:10.1039/c2ob06801j

Reference yield:

UK-408027 (423165-07-5) → C45H69F2N9O7 (1370259-79-2)

Guidance literature:

Multi-step reaction with 8 steps

1.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

1.2: 4 h / 20 °C / Inert atmosphere; Molecular sieve

2.1: palladium 10% on activated carbon; hydrogen / methanol / 96 h / 20 °C / 3102.97 Torr

3.1: lithium aluminium tetrahydride / tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice

4.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

4.2: 4 h / 20 °C / Inert atmosphere; Molecular sieve

5.1: trifluoroacetic acid / dichloromethane / 1.75 h / 20 °C / Cooling with ice

6.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

6.2: 20 °C / Inert atmosphere; Molecular sieve

7.1: 5%-palladium/activated carbon; hydrogen / methanol / 48 h / 20 °C / 3102.97 Torr

8.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

8.2: 20 °C / Inert atmosphere; Molecular sieve

With lithium aluminium tetrahydride; palladium 10% on activated carbon; 5%-palladium/activated carbon; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1039/c2ob06801j

Reference yield:

3-(4-aminophenyl)acrylic acid isopropyl ester → C45H69F2N9O7 (1370259-79-2)

Guidance literature:

Multi-step reaction with 11 steps

1.1: tetrahydrofuran / Reflux

2.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / Inert atmosphere; Cooling with ice

2.2: 2 h / -78 °C / Inert atmosphere

3.1: lithium hydroxide / methanol; water / 48 h / Reflux

4.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

4.2: 4 h / 20 °C / Inert atmosphere; Molecular sieve

5.1: palladium 10% on activated carbon; hydrogen / methanol / 96 h / 20 °C / 3102.97 Torr

6.1: lithium aluminium tetrahydride / tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice

7.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

7.2: 4 h / 20 °C / Inert atmosphere; Molecular sieve

8.1: trifluoroacetic acid / dichloromethane / 1.75 h / 20 °C / Cooling with ice

9.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

9.2: 20 °C / Inert atmosphere; Molecular sieve

10.1: 5%-palladium/activated carbon; hydrogen / methanol / 48 h / 20 °C / 3102.97 Torr

11.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 0.25 h / Inert atmosphere; Cooling with ice; Molecular sieve

11.2: 20 °C / Inert atmosphere; Molecular sieve

With lithium aluminium tetrahydride; n-butyllithium; palladium 10% on activated carbon; 5%-palladium/activated carbon; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; lithium hydroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1039/c2ob06801j

upstream raw materials:

UK-408027

2-(2-(methylamino)-2-oxoethoxy)acetic acid

4,4-difluorocyclohexanecarboxamide N-{1-(4-{2-[(7-aminoheptylcarbamoyl)methoxy]acetylamino}phenyl)-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}

3-[benzyl-(1-phenyl-ethyl)-amino-3-(4-tert-butoxycarbonylamino-phenyl)]-propionic acid isopropyl ester

Refernces