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851477-20-8

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851477-20-8 Structure

851477-20-8 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Questions And AnswerBack Directory
[Reaction]

  1. Thiourea catalyst used in the enantio and diastereoselective Michael addition of malonates and ketoesters to nitroolefins.
  2. Catalyst used in the enantioselective hydrazination of 1,3-dicarbonyl compounds.
  3. Catalyst used for the dynamic resolution of azalactones.
  4. Catalyst used in Michael-Aldol reaction of 2-mercaptobenzaldehyde with α,β-unsaturated oxazolidinone.
  5. Catalyst for enantioselective synthesis of flavanones and chromanones.
  6. Catalyst for the asymmetric Neber Reaction.
  7. Catalyst for the three component synthesis of 2,6-diazabicyclo[2.2.2]octanones.
Reactions of 851477-20-8_1
Reactions of 851477-20-8_2
Spectrum DetailBack 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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