690384

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-10,11-dihydro-6′-methoxy-9-cinchonanyl]thiourea

90%

• Synonym(s): 1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)[(2S,4S,5R)-5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-4-quinolinyl)methyl}thiourea, epi-N-Dihydroquinyl-N′-bis(3,5-trifluoromethyl)phenylthiourea
• Empirical Formula (Hill Notation): C₂₉H₃₀F₆N₄OS
• CAS Number: 852913-19-0
• Molecular Weight: 596.63
• MDL number: MFCD16875669
• UNSPSC Code: 12352005
• PubChem Substance ID: 329761334
• NACRES: NA.22

Properties

• Assay: ≥89.0% (HPLC); 90%
• form: lumps
• optical activity: [α]/D -107.0±5.0°, c = 1 in chloroform
• functional group: amine; fluoro; thiourea
• SMILES string: CC[C@H]1CN2CCC1CC2[C@@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccnc5ccc(OC)cc45
• InChI: 1S/C29H30F6N4OS/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/h4-6,8,11-14,16-17,25-26H,3,7,9-10,15H2,1-2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
• InChI key: KBYUJTLQXUVPQI-FRSFCCSCSA-N

Description

Application

Highly enantioselective conjugate addition of nitromethane to chalcones using bifunctional cinchona organocatalysts

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301
• Precautionary Statements: P301 + P310
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves