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(+)-N,N'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)

Basic information Reactions Safety Supplier Related

(+)-N,N'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE) Basic information

Product Name:
(+)-N,N'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)
Synonyms:
  • 1S,2S- N,N’-1,2-Diaminocyclohexanediylbis (2-pyridinecarboxamide)
  • 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]-pyridine
  • (+)-N,N'-(1S,2S)-1,2-Diaminocyclohexanediylbis(2-pyridinecarboxamide),min.98%
  • (+)-N,N''-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE), MIN. 98%
  • N-((1S,2S)-2-(picolinamido)cyclohexyl)picolinamide
  • (1S,2S)-N,Nμ-1,2-Cyclohexanediylbis(2-pyridinecarboxamide), (+)-N,Nμ-(1S,2S)-1,2-Diaminocyclohexanediylbis(2-pyridinecarboxamide), (1S,2S)-(+)-1,2-Bis[(2-pyridinylcarbonyl)amino]cyclohexane, (1S,2S)-1,2-Bis(2-pyridinecarboxamido)cyclohexane
  • (S,S)-DACH-pyridyl Trost ligand
  • (1R,2R)-(-)-1,2-Bis[(2-pyridinylcarbonyl)amino]cyclohexane
CAS:
172138-95-3
MF:
C18H20N4O2
MW:
324.38
Product Categories:
  • Chiral Nitrogen
  • DACH&Trost Series
Mol File:
172138-95-3.mol
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(+)-N,N'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE) Chemical Properties

Melting point:
170°C
Boiling point:
663.4±50.0 °C(Predicted)
alpha 
+95° (c 1, CH3OH)
Density 
1.25±0.1 g/cm3(Predicted)
storage temp. 
Inert atmosphere,2-8°C
pka
12.51±0.40(Predicted)
form 
Powder
color 
off-white
CAS DataBase Reference
172138-95-3
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Safety Information

Hazard Codes 
Xn
Risk Statements 
36/37/38-22
Safety Statements 
26-36/37/39-36/37
WGK Germany 
3
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(+)-N,N'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE) Usage And Synthesis

Reactions

  1. Ligands for Mo catalyzed asymmetric allylic substitutions. Especially useful for the synthesis of tertiary and quaternary stereocenters. Exclusive license for this technology acquired by ChiroTech and is protected by pending Stanford University patents.
  2. Dynamic kinetic asymmetric formation of tertiary and quaternary stereogenic centers

Uses

Trost Ligands for Asymmetric Allylic Alkylation

Synthesis

1,1'-Carbonyldiimidazole (1.7Kg, 10.48mol) and THF (7.5L) were added to a 22L flask and solid pyridinecarboxylic acid (1.36Kg, 11 mol) was added to the slurry at room temperature, the reaction was heat absorbed and the mixture was allowed to cool down from 18??C to 12??C, then the reaction mixture was heated to 18-19??C. The resulting clarified solution was stirred for 1 h and (1S,2S)-(+)-1,2-diaminocyclohexane (0.5 Kg, 4.38 mol) was added within 1 h while keeping the temperature lower than 50 ??C, the beaker and funnel were rinsed with 2.5 L of THF, the reaction was stirred at room temperature for 15 h. Water (0.5 L) was added to the dilute slurry to obtain a clarified solution and the reaction mixture was The reaction mixture was stirred for 1 h. The reaction mixture was concentrated to an orange semi-solid by rotary evaporation, and the reaction product was slurried in 5 L of ethanol and concentrated by rotary evaporation, dissolved in ethanol (5 L) at 64-65 ??C, cooled, and the solution became turbid at about 58 ??C. The turbid solution was inoculated (10 g) at this temperature and cooled to -8??C. The resulting white crystals were separated by filtration over a sintered glass funnel and washed with 5 L of cold water. ethanol (-8 to -10??C), purged with nitrogen under room vacuum and then dried in a vacuum oven (35??C). This resulted in the isolation of 1.23 Kg (86.3%) of white crystalline solid.

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