87026-26-4

Basic information

• Product Name: Z-<1-(1-Cyano-2-phenylamino-2-thio-)>ethylen-pyridiniumylid
• CAS NO: 87026-26-4
• Molecular Weight: 253.327
• Mol File: 87026-26-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Z-<1-(1-Cyano-2-phenylamino-2-thio-)>ethylen-pyridiniumylid(CAS DataBase Reference)
• NIST Chemistry Reference: Z-<1-(1-Cyano-2-phenylamino-2-thio-)>ethylen-pyridiniumylid(87026-26-4)
• EPA Substance Registry System: Z-<1-(1-Cyano-2-phenylamino-2-thio-)>ethylen-pyridiniumylid(87026-26-4)

Safety Data

• Hazardous Substances Data: 87026-26-4(Hazardous Substances Data)

Upstream product

• 17281-59-3 2-pyridin-1-ium-1-ylacetonitrile chloride 
• 103-72-0 phenyl isothiocyanate 

Relevant articles and documents

Stereochemical Investigations of Heterocyclic Compounds. XII. Structural Investigations of 1-(2-Amino-1-cyano-2-thio)ethene Pyridinium Ylides

Two isomerization processes were found by 1H-d-n.m.r. characterized by ΔG* = 67 +/- 4 KJ/mol for E- Z-isomerization and ΔG* = 46 +/- 5 KJ/mol for the hindered rotation of the pyridine substituent in 1a.The structure of 1b was solved by direct method.Crystals are monoclinic space group P21/n, a= 13.682(3), b = 9.452(1), C = 19.713(6) Angstroem, β = 96.42(2)0, V = 2533.3 Angstroem3, Dx = 1.328 Mg m-3, Z = 8.Both E- and Z-isomeres of 1b are found in the crystal lattice.The amino-C distance with 1.369 (1,387) Angstroem is shorter than the theoretical single bond distance.The formal-C=C- double bond with 1.377 (1.391) Angstroem is considerably longer than 1.377 Angstroem observed in some alkenes.