ChemicalBook--->CAS DataBase List--->852913-25-8

852913-25-8

852913-25-8 Structure

852913-25-8 Structure
IdentificationBack Directory
[Name]

N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- Thiourea
[CAS]

852913-25-8
[Synonyms]

N-[3,5-Bis(trifluoroMethyl)phenyl]-N′-[(9R)-6′-Methoxy-9-cinchonanyl]thiourea
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- Thiourea
Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]-
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxy-9-cinchonanyl]thiourea >=90.0%
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxyci nchonan-9-yl]thiourea,99%d.e.
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinucli
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea
[Molecular Formula]

C29H28F6N4OS
[MDL Number]

MFCD16621389
[MOL File]

852913-25-8.mol
[Molecular Weight]

594.61
Chemical PropertiesBack Directory
[Melting point ]

150 °C (decomp)
[Boiling point ]

598.2±60.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

lumps
[pka]

11.39±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChIKey]

IQMKPBFOEWWDIQ-ZRJNXXGPSA-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 DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

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 InformationBack Directory
[Chemical Properties]

Solid
[Uses]

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(9R)-6′-methoxy-9-cinchonanyl]thiourea may be used to catalyze the formation of optically active Mannich adducts from stable N-carbamate amido sulfones via enantioselective Mannich reaction.
[General Description]

The product is a cinchona-alkaloid-derived, bifunctional catalyst containing a thiourea group at position 9.
Spectrum DetailBack Directory
[Spectrum Detail]

N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- Thiourea(852913-25-8)1HNMR
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