1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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.: 1613134-56-7
• Molecular Formula: C₃₂H₃₇BF₃N₅O₅
• Molecular Weight: 639.482

Synonyms:1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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:

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Technology Process of 1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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: 66.0%

1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (1613134-55-6) + (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-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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 (1613134-56-7)

Guidance literature:

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

Reference yield:

1-(2-((tert-butoxycarbonyl)amino)ethyl)-1H-1,2,3-triazole-4-carboxylic acid methyl ester (1613134-38-5) → 1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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 (1613134-56-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C

1.2: 20 °C

2.1: lithium hydroxide; water / methanol; tetrahydrofuran / 20 °C

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

With water; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid methyl ester (1613134-53-4) → 1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[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 (1613134-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide; water / methanol; tetrahydrofuran / 20 °C

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

With water; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

1-(2-((tert-butoxycarbonyl)amino)ethyl)-1H-1,2,3-triazole-4-carboxylic acid methyl ester

1-[2-(2-methoxy-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

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

Downstream raw materials:

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

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