5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid

Base Information

Chemical Name:5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid
CAS No.:1026785-55-6
Molecular Formula:C25H35NO4S
Molecular Weight:445.623
Hs Code.:
Mol file:1026785-55-6.mol

Synonyms:2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-((trans-4- hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl)amino]-;5-(3,3-Dimethylbut-1-ynyl)-3-{(trans-4-hydroxycyclohexyl)((trans-4-methylcyclohexyl)carbonyl)amino}thiophene-2-carboxylic acid;

Suppliers and Price of 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

ChemScene
Lomibuvir 99.90%
50mg
$ 630.00

ChemScene
Lomibuvir 99.90%
10mg
$ 210.00

ChemScene
Lomibuvir 99.90%
5mg
$ 120.00

Total 22 raw suppliers

Chemical Property of 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid

Chemical Property:

PSA：106.08000
LogP:5.30670

Purity/Quality:

99%, ^*data from raw suppliers

Lomibuvir 99.90% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Technology Process of 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid

There total 10 articles about 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)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: 76.0%

: 1026785-63-6
methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

: 1026785-55-6
5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

Guidance literature:: With methanol; lithium hydroxide monohydrate; In tetrahydrofuran; at 20 ℃;
DOI:10.1021/jm401420j

Reference yield:

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

: 1026785-55-6
5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 7 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

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

Reference yield:

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

: 1026785-55-6
5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 6 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

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