N²-{[(1R,2R)-2-Aminocyclohexyl]Carbamothioyl}-N-Benzyl-N,3-Dimethyl-L-Valinamide
[CAS# 479423-21-7]

Identification

• Name: N²-{[(1R,2R)-2-Aminocyclohexyl]Carbamothioyl}-N-Benzyl-N,3-Dimethyl-L-Valinamide
• Synonyms: (2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
• Molecular Formula: C₂₁H₃₄N₄OS
• Molecular Weight: 390.59
• CAS Registry Number: 479423-21-7
• SMILES: CC(C)(C)[C@@H](C(=O)N(C)Cc1ccccc1)N/C(=N/[C@@H]2CCCC[C@H]2N)/S
• InChI: 1S/C21H34N4OS/c1-21(2,3)18(19(26)25(4)14-15-10-6-5-7-11-15)24-20(27)23-17-13-9-8-12-16(17)22/h5-7,10-11,16-18H,8-9,12-14,22H2,1-4H3,(H2,23,24,27)/t16-,17-,18-/m1/s1
• InChIKey: CNEVMNSDRMDKFO-KZNAEPCWSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 532.466°C at 760 mmHg (Cal.)
• Flash point: 275.826°C (Cal.)
• Refractive index: 1.59 (Cal.)

References

• (1): Sulzer-Mossé Sarah. Chiral amines as organocatalysts for asymmetric conjugate addition to nitroolefins and vinyl sulfones via enamine activation, Chemical Communications, 2007