728357

N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoromethyl)phenyl]squaramide

95%

• Synonym(s): 3-{[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]amino}-4-{[4-(trifluoromethyl)phenyl]amino}-3-cyclobutene-1,2-dione, Rawal Squaramide Organocatalyst
• Empirical Formula (Hill Notation): C₂₂H₂₆F₃N₃O₂
• CAS Number: 1211565-08-0
• Molecular Weight: 421.46
• MDL number: MFCD18827464
• UNSPSC Code: 12352005
• PubChem Substance ID: 329764393
• NACRES: NA.22

Properties

• Assay: ≥94.5% (HPLC); 95%
• form: powder
• optical activity: [α]/D -42.0±2.0°, c = 1 in DMSO
• impurities: ≤2.0% pyridine
• functional group: fluoro; ketone
• SMILES string: FC(F)(F)c1ccc(NC2=C(N[C@@H]3CCCC[C@H]3N4CCCCC4)C(=O)C2=O)cc1
• InChI: 1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1
• InChI key: JRSCPJJNZMRAQS-IAGOWNOFSA-N

Description

Application

Catalyst for enantioselective Michael addition.

It can act as a catalyst for the asymmetric tandem aza-Michael addition-protonation between 1-nitro cyclohexene and 4-methoxyaniline to form the corresponding α-arylamino-β-nitro cyclohexane in a 35:65 trans/cis mixture.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H315,H318,H335
• Precautionary Statements: P280 - P302 + P352 - P305 + P351 + P338 + P310
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable