2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide

Base Information

• Chemical Name: 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide
• CAS No.: 528882-60-2
• Molecular Formula: C₂₉H₃₄N₈O₃
• Molecular Weight: 542.641
• Mol file: 528882-60-2.mol

Synonyms:2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide

Chemical Property of 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide

There total 10 articles about 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide 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: 60.0%

C35H44N8O5 (942232-12-4) → 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide (528882-60-2)

Guidance literature:

With ammonia; In methanol; at 20 ℃;

DOI:10.1021/jm070139l

Reference yield:

2,2-dimethyl-propionic acid 5-(3-nitro-phenyl)-tetrazol-2-ylmethyl ester → 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide (528882-60-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / H₂ / Pd/C / dioxane

2: 61 percent / HOBt; DMAP; EDCI / dimethylformamide / 16 h / 20 °C

3: 60 percent / NH₃ / methanol / 20 °C

With dmap; ammonia; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In 1,4-dioxane; methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm070139l

Reference yield:

(5-cyclohexyl-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester (528882-09-9) → 2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(2H-tetrazol-5-yl)-phenyl)-acetamide (528882-60-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: NaH / dimethylformamide / 0.5 h / 20 °C

1.2: 84 percent / dimethylformamide / 2 h / 20 °C

2.1: 95 percent / aq. NaOH / ethanol / 16 h / 20 °C

3.1: 61 percent / HOBt; DMAP; EDCI / dimethylformamide / 16 h / 20 °C

4.1: 60 percent / NH₃ / methanol / 20 °C

With dmap; sodium hydroxide; ammonia; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm070139l

upstream raw materials:

C₃₅H₄₄N₈O₅

(5-cyclohexyl-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester

(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid

(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester

Downstream raw materials:

2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-N-[3-(2H-tetrazol-5-yl)-phenyl]-acetamide N-methyl-D-glucamine salt