![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](https://img.chemicalbook.com/CAS/20150408/GIF/852913-16-7.gif)
A1808412
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 , 97% , 852913-16-7
Synonym(s):
epi-N-Quinyl-N′-bis(3,5-trifluoromethyl)phenylthiourea;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
CAS NO.：852913-16-7
Empirical Formula: C29H28F6N4OS
Molecular Weight: 594.61
MDL number: MFCD16875670
| Pack Size | Price | Stock | Quantity |
| 50mg | RMB751.20 | In Stock |
|
| 250MG | RMB2559.20 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| pka | 11.39±0.70(Predicted) |
| form | lumps |
| 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 |
Description and 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.
Safety
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P301+P310 |
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| 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 |
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