(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

Base Information

Chemical Name:(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole
CAS No.:1526936-85-5
Molecular Formula:C₁₃H₁₄F₃NO
Molecular Weight:257.255
Hs Code.:

Synonyms:(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

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

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Chemical Property of (3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

Chemical Property:

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Technology Process of (3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

There total 5 articles about (3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole 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: 30.0%

: rac-(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

: 1526936-85-5
(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

: 1526936-86-6
(3R,3aS,6aS)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

Guidance literature:: In ethanol; n-heptane; Resolution of racemate;

Reference yield:

: 930-30-3
cyclopent-2-enone

: 1526936-85-5
(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

: 1526936-86-6
(3R,3aS,6aS)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine; phenyl isocyanate / diethyl ether / 25 °C / Inert atmosphere

2.1: morpholinosulfur trifluoride / dichloromethane / 15 h / 0 - 20 °C / Inert atmosphere

3.1: n-butyllithium / tetrahydrofuran; toluene; hexane / 1.17 h / 70 - 78 °C / Inert atmosphere

3.2: 2.17 h / 70 - 78 °C

4.1: n-heptane; ethanol / Resolution of racemate

With n-butyllithium; phenyl isocyanate; triethylamine; morpholinosulfur trifluoride; In tetrahydrofuran; diethyl ether; ethanol; hexane; n-heptane; dichloromethane; toluene;

Reference yield:

: rac-(3aR,6aR)-4,4-difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazol

: 1526936-85-5
(3S,3aR,6aR)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

: 1526936-86-6
(3R,3aS,6aS)-4,4-difluoro-3-(2-fluorophenyl)-3-methylhexahydrocyclopenta[d]isoxazole

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; toluene; hexane / 1.17 h / 70 - 78 °C / Inert atmosphere

1.2: 2.17 h / 70 - 78 °C

2.1: n-heptane; ethanol / Resolution of racemate

With n-butyllithium; In tetrahydrofuran; ethanol; hexane; n-heptane; toluene;