2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

Base Information

Chemical Name:2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile
CAS No.:1225377-96-7
Molecular Formula:C₂₂H₃₀N₂O₂
Molecular Weight:354.492
Hs Code.:

Synonyms:2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

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Chemical Property of 2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

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Technology Process of 2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

There total 9 articles about 2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile 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: 99.0%

: 1225377-94-5
3-((1R,2R,4R,6S)-6-(cyanomethyl)-2-ethynyl-2-((4-methoxybenzyl)amino)-4-methylcyclohexyl)propyl acetate

: 1225377-96-7
2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

Guidance literature:: With methanol; potassium carbonate; at 23 ℃; for 7h; Inert atmosphere;
DOI:10.1021/ja101956x

Reference yield:

: 1225377-59-2
(R)-3-(4-methyl-6-oxocyclohex-1-en-1-yl)propyl acetate

: 1225377-96-7
2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: n-butyllithium / diethyl ether; hexane / 0.68 h / -78 °C / Inert atmosphere

1.2: 0.55 h / -78 °C / Inert atmosphere

2.1: tetrahydrofuran; toluene / 0.58 h / 23 °C / Inert atmosphere

3.1: magnesium(II) perchlorate / 0.5 h / 23 °C / Inert atmosphere

4.1: copper(l) chloride / tetrahydrofuran / 0.5 h / 80 °C / Inert atmosphere

5.1: potassium carbonate / methanol / 7 h / 23 °C / Inert atmosphere

With n-butyllithium; magnesium(II) perchlorate; potassium carbonate; copper(l) chloride; In tetrahydrofuran; methanol; diethyl ether; hexane; toluene;
DOI:10.1021/jo400695c

Reference yield:

: 1225377-61-6
3-((1R,2S,4R)-2-(cyanomethyl)-4-methyl-6-oxocyclohexyl)propyl acetate

: 1225377-96-7
2-((1S,2R,3R,5R)-3-ethynyl-2-(3-hydroxypropyl)-3-((4-methoxybenzyl)amino)-5-methylcyclohexyl)acetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: tetrahydrofuran; toluene / 0.58 h / 23 °C / Inert atmosphere

2: magnesium(II) perchlorate / 0.5 h / 23 °C / Inert atmosphere

3: copper(l) chloride / tetrahydrofuran / 0.5 h / 80 °C / Inert atmosphere

4: potassium carbonate / methanol / 7 h / 23 °C / Inert atmosphere

With magnesium(II) perchlorate; potassium carbonate; copper(l) chloride; In tetrahydrofuran; methanol; toluene;
DOI:10.1021/jo400695c