tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

Base Information

Chemical Name:tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate
CAS No.:1070764-23-6
Molecular Formula:C₃₇H₃₉F₆NO₅
Molecular Weight:691.711
Hs Code.:

Synonyms:tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

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Chemical Property of tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

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Technology Process of tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

There total 12 articles about tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate 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: 100.0%

: 1070763-61-9
tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-1-[3,5-bis(trifluoromethyl)-phenyl]-2-hydroxyethoxy}-4-(2-methylphenyl)octahydro-2H-isoindole-2-carboxylate

: 98-88-4
benzoyl chloride

: 1070764-23-6
tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

Guidance literature:: With pyridine; at 50 ℃; for 16h;

Reference yield:

: 1070764-21-4
tert-butyl (3aR,4R,5S,7aS)-5-{1-[3,5-bis(trifluoromethyl)phenyl]-2-ethoxy-2-oxoethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

: 1070764-23-6
tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: lithium borohydride / tetrahydrofuran / 3 h / 0 - 75 °C / Inert atmosphere

2: pyridine / 16 h / 50 °C

With pyridine; lithium borohydride; In tetrahydrofuran;
DOI:10.1021/jm400751p

Reference yield:

: diethyl (1SR,2SR,3RS,4SR)-3-(2-methylphenyl)-4-hydroxycyclohexane-1,2-dicarboxylate

: 1070764-23-6
tert-butyl (3aR,4R,5S,7aS)-5-{(1S)-2-(benzoyloxy)-1-[3,5-bis-(trifluoromethyl)phenyl]ethoxy}-4-(2-methylphenyl)-octahydro-2H-isoindole-2-carboxylate

Guidance literature:: Multi-step reaction with 9 steps

1: CHIRACEL AD column / hexane; isopropyl alcohol / Resolution of racemate

2: lithium borohydride / tetrahydrofuran / 12 h / 0 - 75 °C / Inert atmosphere

3: 2,6-dimethylpyridine / dichloromethane; acetonitrile / 41 h / 20 °C

4: ethanol / 3 h / 140 °C / Sealed tube

5: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol / 16 h / 20 °C / 2585.81 Torr

6: dichloromethane / 20 °C

7: dirhodium tetraacetate / benzene / 8 h / 85 °C

8: lithium borohydride / tetrahydrofuran / 3 h / 0 - 75 °C / Inert atmosphere

9: pyridine / 16 h / 50 °C

With pyridine; 2,6-dimethylpyridine; dirhodium tetraacetate; lithium borohydride; 10 wt% Pd(OH)2 on carbon; hydrogen; In tetrahydrofuran; ethanol; hexane; dichloromethane; isopropyl alcohol; acetonitrile; benzene;
DOI:10.1021/jm400751p