5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

Base Information

Chemical Name:5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt
CAS No.:1263099-13-3
Molecular Formula:C₂HF₃O₂*C₂₉H₃₇N₃O₅S
Molecular Weight:653.72
Hs Code.:

5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

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Chemical Property of 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

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Technology Process of 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

There total 12 articles about 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt 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: 19.0%

: 3-((1r,4R)-N-((1r,4R)-4-(6-chloropyridazin-3-yloxy)cyclohexyl)-4-methylcyclohexanecarboxamido)-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid

: 76-05-1
trifluoroacetic acid

: 1263099-13-3
5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

Guidance literature:: 3-((1r,4R)-N-((1r,4R)-4-(6-chloropyridazin-3-yloxy)cyclohexyl)-4-methylcyclohexanecarboxamido)-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid; With sodium acetate; acetic acid; at 100 ℃; for 4h;

trifluoroacetic acid; In water; acetonitrile;
DOI:10.1021/jm401420j

Reference yield:

: 934-67-8,4331-54-8,13064-83-0
trans-4-methylcyclohexanecarboxylic acid

: 1263099-13-3
5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

Guidance literature:: Multi-step reaction with 9 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: sodium tetrahydroborate / tetrahydrofuran / 2 h / -25 °C

7.1: methanol; lithium hydroxide monohydrate / tetrahydrofuran / 20 °C

8.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 100 °C / Sealed tube; Microwave irradiation

9.1: acetic acid; sodium acetate / 4 h / 100 °C

With pyridine; hydrogenchloride; methanol; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; sodium tetrahydroborate; copper(l) iodide; n-butyllithium; lithium hydroxide monohydrate; sodium acetate; sodium hydride; acetic acid; triethylamine; diisopropylamine; In tetrahydrofuran; hexane; dichloromethane; water; N,N-dimethyl-formamide; toluene; mineral oil;
DOI:10.1021/jm401420j

Reference yield:

: 55930-23-9
trans-4-methylcyclohexanecarbonyl chloride

: 1263099-13-3
5-(3,3-dimethylbut-1-ynyl)-3-((1r,4R)-4-methyl-N-((1r,4R)-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)cyclohexyl)cyclohexanecarboxamido)thiophene-2-carboxylic acid trifluoroacetic acid salt

Guidance literature:: Multi-step reaction with 8 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: sodium tetrahydroborate / tetrahydrofuran / 2 h / -25 °C

6.1: methanol; lithium hydroxide monohydrate / tetrahydrofuran / 20 °C

7.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 100 °C / Sealed tube; Microwave irradiation

8.1: acetic acid; sodium acetate / 4 h / 100 °C

With pyridine; hydrogenchloride; methanol; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; sodium tetrahydroborate; copper(l) iodide; n-butyllithium; lithium hydroxide monohydrate; sodium acetate; sodium hydride; acetic acid; triethylamine; diisopropylamine; In tetrahydrofuran; hexane; water; N,N-dimethyl-formamide; toluene; mineral oil;
DOI:10.1021/jm401420j