N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea

Base Information

Chemical Name:N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea
CAS No.:620960-27-2
Molecular Formula:C₂₃H₂₃F₆N₃S
Molecular Weight:487.512
Hs Code.:
Mol file:620960-27-2.mol

Synonyms:N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea

Suppliers and Price of N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea

Supply Marketing:

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

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Strem Chemicals
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea, 95%, (99% ee) (99% ee)
50mg
$ 105.00

Total 7 raw suppliers

Chemical Property of N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea

Chemical Property:

Melting Point:154-156 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point:468.9±55.0 °C(Predicted)
PKA:11.76±0.70(Predicted)
Density:1.39±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea, 95%, (99% ee) (99% ee) ^*data from reagent suppliers

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Technology Process of N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea

There total 3 articles about N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-Thiourea 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: 31.0%

: 23165-29-9
3,5-bistrifluoromethylphenylisothiocyanate

: (1R,2R)-2-(isoindolin-2-yl)cyclohexanamine

: 620960-27-2
1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(isoindolin-2-yl)cyclohexyl)thiourea

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;
DOI:10.1021/ol5013982

Reference yield: 21.0%

: 620960-27-2
1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(isoindolin-2-yl)cyclohexyl)thiourea

Guidance literature:

Reference yield:

: 438588-60-4
2-((1R,2R)-2-aminocyclohexyl)isoindoline-1,3-dione

: 620960-27-2
1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(isoindolin-2-yl)cyclohexyl)thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 16 h / 90 °C / Inert atmosphere

2: tetrahydrofuran / 16 h / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ol5013982