5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid
• CAS No.: 1263102-01-7
• Molecular Formula: C₂₈H₃₉NO₅S
• Molecular Weight: 501.687

Synonyms:

Chemical Property of 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid

There total 13 articles about 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid 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: 11.0%

methyl 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylate (1263102-03-9) → 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid (1263102-01-7)

Guidance literature:

With methanol; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1021/jm401420j

Reference yield:

trans-4-methylcyclohexanecarboxylic acid (934-67-8,4331-54-8,13064-83-0) → 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid (1263102-01-7)

Guidance literature:

Multi-step reaction with 10 steps

1.1: dichloromethane; N,N-dimethyl-formamide / 3 h / 0 - 20 °C

2.1: pyridine / toluene / 16 h / Reflux

3.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 2 h / -75 - -60 °C

3.2: 3 h / -78 °C

4.1: copper(l) iodide; triethylamine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex / N,N-dimethyl-formamide / 12 h / 60 °C / Inert atmosphere

5.1: hydrogenchloride / tetrahydrofuran; water / 12 h / 40 °C

6.1: iron(III) chloride; triethylamine / nitromethane / 0 - 20 °C

7.1: hydrogenchloride / water; 1,4-dioxane / Reflux

8.1: dmap / dichloromethane / 0.5 h / 20 °C

9.1: sodium hydride / tetrahydrofuran / 50 °C

10.1: methanol; sodium hydroxide / tetrahydrofuran / 0.5 h / 20 °C

With pyridine; hydrogenchloride; methanol; dmap; iron(III) chloride; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; n-butyllithium; sodium hydride; triethylamine; diisopropylamine; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; nitromethane; hexane; dichloromethane; water; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm401420j

Reference yield:

trans-4-methylcyclohexanecarbonyl chloride (55930-23-9) → 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1s,4S)-4-(oxetan-3-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(2-(1-(trifluoromethyl)cyclopropyl)ethynyl)thiophene-2-carboxylic acid (1263102-01-7)

Guidance literature:

Multi-step reaction with 9 steps

1.1: pyridine / toluene / 16 h / Reflux

2.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 2 h / -75 - -60 °C

2.2: 3 h / -78 °C

3.1: copper(l) iodide; triethylamine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex / N,N-dimethyl-formamide / 12 h / 60 °C / Inert atmosphere

4.1: hydrogenchloride / tetrahydrofuran; water / 12 h / 40 °C

5.1: iron(III) chloride; triethylamine / nitromethane / 0 - 20 °C

6.1: hydrogenchloride / water; 1,4-dioxane / Reflux

7.1: dmap / dichloromethane / 0.5 h / 20 °C

8.1: sodium hydride / tetrahydrofuran / 50 °C

9.1: methanol; sodium hydroxide / tetrahydrofuran / 0.5 h / 20 °C

With pyridine; hydrogenchloride; methanol; dmap; iron(III) chloride; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; n-butyllithium; sodium hydride; triethylamine; diisopropylamine; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; nitromethane; hexane; dichloromethane; water; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm401420j

upstream raw materials:

trans-4-methylcyclohexanecarboxylic acid

trans-4-methylcyclohexanecarbonyl chloride

C₃₀H₄₃NO₆S

methyl 3-(N-((1s,4s)-4-(1,3-dihydroxypropan-2-yloxy)cyclohexyl)cyclohexanecarboxamido)-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate

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