Home Categories 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
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
SDS-US
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
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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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