690481

N-[3,5-Bis-(trifluormethyl)-phenyl]-N′-[(8a,9S)-6′-methoxy-cinchonanyl]-thioharnstoff

90%

• Synonym(e): 1-[3,5-Bis-(trifluormethyl)-phenyl)-3-{(S)(6-methoxy-4-chinolinyl)-[(2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]-methyl}-thioharnstoff
• Empirische Formel (Hill-System): C₂₉H₂₈F₆N₄OS
• CAS-Nummer: 852913-16-7
• Molekulargewicht: 594.61
• MDL-Nummer: MFCD16875670
• UNSPSC-Code: 12352005
• PubChem Substanz-ID: 329761344
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: ≥89.0%; 90%
• Form: lumps
• Funktionelle Gruppe: amine; fluoro; thiourea
• SMILES String: COc1ccc2nccc([C@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C4CC5CCN4C[C@@H]5C=C)c2c1
• InChI: 1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
• InChIKey: IQMKPBFOEWWDIQ-FRSFCCSCSA-N

Beschreibung

Anwendung

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.

Verpackung

Bottomless glass bottle. Contents are inside inserted fused cone.

Sicherheitshinweise

• Piktogramme: GHS06
• Signalwort: Danger
• H-Sätze: H301
• P-Sätze: P264 - P270 - P301 + P310 - P405 - P501
• Gefahreneinstufungen: Acute Tox. 3 Oral
• Lagerklassenschlüssel: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges