| Identification | Back Directory | [Name]
Epi-N-Quinyl-N’-bis(3,5-trifluoromethyl)
phenylthiourea | [CAS]
852913-16-7 | [Synonyms]
Epi-N-Quinyl-N’-bis(3,5-trifluoromethyl)
phenylthiourea
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8a,9S)-6'-methoxy-9-cinchonanyl]thiourea
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]- Thiourea
Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(8α,9S)-6'-methoxycinchonan-9-yl]-
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8a,9S)-6'-methoxy-9-cinchonanyl]thiourea 90%
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8α,9S)-6'-methox
ycinchonan-9-yl]thiourea,99%d.e.
N-?[3,?5-?Bis(trifluoromethyl)?phenyl]?-?N'-?[(8α,?9S)?-?6'-?methoxycinchonan-?9-?yl]?thiourea
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((6-methoxyquinolin-4-yl)((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea
1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(S)(6-METHOXY-4-QUINOLINYL)-[(2S,4S,5R)-5-VINYL-1-AZA-BICYCLO[2.2.2]OCT-2-YL]METHYL]THIOUREA
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]thiourea | [Molecular Formula]
C29H28F6N4OS | [MDL Number]
MFCD16875670 | [MOL File]
852913-16-7.mol | [Molecular Weight]
594.61 |
| Chemical Properties | Back Directory | [Boiling point ]
598.2±60.0 °C(Predicted) | [density ]
1.39±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C, protect from light, stored under nitrogen | [form ]
lumps | [pka]
11.39±0.70(Predicted) | [Appearance]
White to off-white Solid | [InChIKey]
IQMKPBFOEWWDIQ-FRSFCCSCSA-N | [SMILES]
COc1ccc2nccc([C@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C4CC5CCN4C[C@@H]5C=C)c2c1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
WGK 3 | [HS Code ]
29339900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Solid | [Uses]
N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-6′-methoxy-9-cinchonanyl]thiourea is a bifunctional cinchona organocatalyst, which can be used to synthesize:
- Stereoselective diaryl(nitro)butanone via enantioselective Michael addition of nitromethane to chalcones.
- Enantioselective β-amino acids via asymmetric Mannich reaction of malonates with aryl and alkyl imines.
- The synthesis of 3-indolylmethanamines by the reaction of indoles with imines via asymmetric Friedel-Crafts reaction.
- The enantioselective conjugate addition of active methylene compounds to enones to obtain the corresponding addition products.
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