1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²'⁶]dec-4-yl)ethyl]amide

Base Information

• Chemical Name: 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²'⁶]dec-4-yl)ethyl]amide
• CAS No.: 1613134-49-8
• Molecular Formula: C₃₁H₃₄BF₄N₅O₄
• Molecular Weight: 627.447

Synonyms:1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²'⁶]dec-4-yl)ethyl]amide

Chemical Property of 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²'⁶]dec-4-yl)ethyl]amide

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Technology Process of 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²'⁶]dec-4-yl)ethyl]amide

There total 3 articles about 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²'⁶]dec-4-yl)ethyl]amide 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: 49.0%

1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (1613134-47-6) + (R)-2-phenyl-1-((3a5,45,65,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)ethanamine hydrochloride (178455-03-3) → 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02'6]dec-4-yl)ethyl]amide (1613134-49-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield:

2-fluoro-4-(trifluoromethyl)benzoic acid (115029-24-8) → 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02'6]dec-4-yl)ethyl]amide (1613134-49-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl acetamide / 1 h / 0 °C

1.2: 0 - 20 °C

2.1: sodium hydroxide / methanol / 20 °C

3.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0 - 20 °C

With N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In methanol; N,N-dimethyl acetamide; N,N-dimethyl-formamide;

Reference yield:

1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid methyl ester (1613134-45-4) → 1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-2H-[1,2,3]triazole-4-carboxylic acid [(R)-2-phenyl-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02'6]dec-4-yl)ethyl]amide (1613134-49-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol / 20 °C

2: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0 - 20 °C

With N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid

(R)-2-phenyl-1-((3a5,45,65,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)ethanamine hydrochloride

2-fluoro-4-(trifluoromethyl)benzoic acid

1-[2-(2-fluoro-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid methyl ester

Downstream raw materials:

(R)-1-(1-(2-(2-fluoro-4-(trifluoromethyl)benzamido)ethyl)-1H-1,2,3-triazole-4-carboxamido)-2-phenylethylboronic acid

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