N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoroMethyl)phenyl]squaraMide Chemical Properties

Melting point:

250 °C (decomp)

Boiling point:

497.4±55.0 °C(Predicted)

Density 

1.31±0.1 g/cm3(Predicted)

storage temp. 

2-8°C, protect from light, stored under nitrogen

pka

8.97±0.20(Predicted)

form 

powder

Appearance

White to off-white Solid

optical activity

[α]/D -42.0±2.0°, c = 1 in DMSO

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

InChIKey

JRSCPJJNZMRAQS-IAGOWNOFSA-N

SMILES

C1(=O)C(NC2=CC=C(C(F)(F)F)C=C2)=C(N[C@@H]2CCCC[C@H]2N2CCCCC2)C1=O

Safety Information

Hazard Codes 

C

Risk Statements 

37/38-41

Safety Statements 

26-39

WGK Germany 

3

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Dam. 1
Skin Irrit. 2
STOT SE 3

N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoroMethyl)phenyl]squaraMide Usage And Synthesis

Uses

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.

N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoroMethyl)phenyl]squaraMide(1211565-08-0)Related Product Information

• 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-piperidinyl)cyclohexyl]aMino]-3-Cyclobutene-1,2-dione
• 3-[[(9R)-6'-Methoxycinchonan-9-yl]aMino]-4-[[4-(trifluoroMethyl)phenyl]aMino]-3-Cyclobutene-1,2-dione
• 3-[[(1S,2S)-2-(1-piperidinyl)cyclohexyl]aMino]-4-[[4-(trifluoroMethyl)phenyl]aMino]-3-Cyclobutene-1,2-dione
• 3-[[(1S,2S)-2-aMinocyclohexyl]aMino]-4-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-3-Cyclobutene-1,2-dione
• 3-[[(8α,9S)-6'-Methoxycinchonan-9-yl]aMino]-4-[[4-(trifluoroMethyl)phenyl]aMino]-3-Cyclobutene-1,2-dione