851477-20-8

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851477-20-8 Structure

Identification	Back Directory
[Name] 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
[CAS] 851477-20-8
[Synonyms] 1-[3,5-Bis(trifluoroMethyl)phenyl]-3-[(1S,2S) -2-(diMethylaMino)cyclohexyl]thiourea Thiourea, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2S)-2-(diMethylaMino)cyclohexyl]- 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2- (dimethylamino)cyclohexyl]thiourea,99%e.e. 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl] thiourea (S,S-TUC)
[Molecular Formula] C17H21F6N3S
[MDL Number] MFCD09834840
[MOL File] 851477-20-8.mol
[Molecular Weight] 413.428

Chemical Properties	Back Directory
[Melting point ] 87-88°C
[alpha ] +42° (c 1.16, CHCl3)
[Boiling point ] 380.8±52.0 °C(Predicted)
[density ] 1.33±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] Powder
[pka] 11.76±0.70(Predicted)
[color ] white
[InChI] InChI=1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m0/s1
[InChIKey] NQRCAVZHOLYEBJ-KBPBESRZSA-N
[SMILES] N(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(N[C@H]1CCCC[C@@H]1N(C)C)=S

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P280-P301+P312-P302+P352-P305+P351+P338

[Reaction]

Thiourea catalyst used in the enantio and diastereoselective Michael addition of malonates and ketoesters to nitroolefins.
Catalyst used in the enantioselective hydrazination of 1,3-dicarbonyl compounds.
Catalyst used for the dynamic resolution of azalactones.
Catalyst used in Michael-Aldol reaction of 2-mercaptobenzaldehyde with α,β-unsaturated oxazolidinone.
Catalyst for enantioselective synthesis of flavanones and chromanones.
Catalyst for the asymmetric Neber Reaction.
Catalyst for the three component synthesis of 2,6-diazabicyclo[2.2.2]octanones.

Spectrum Detail	Back Directory
[Spectrum Detail] 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)(851477-20-8)¹HNMR

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