947622-67-5

Basic information

• Product Name: (CH₃)2Zn₂((OC₆H₂(C(CH₃)3)CH₂)2(C₆H₂(C(CH₃)3)(CCC₆H₄CH₃)CH₂)2)
• CAS NO: 947622-67-5
• Molecular Weight: 1004.05
• Mol File: 947622-67-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (CH₃)2Zn₂((OC₆H₂(C(CH₃)3)CH₂)2(C₆H₂(C(CH₃)3)(CCC₆H₄CH₃)CH₂)2)(CAS DataBase Reference)
• NIST Chemistry Reference: (CH₃)2Zn₂((OC₆H₂(C(CH₃)3)CH₂)2(C₆H₂(C(CH₃)3)(CCC₆H₄CH₃)CH₂)2)(947622-67-5)
• EPA Substance Registry System: (CH₃)2Zn₂((OC₆H₂(C(CH₃)3)CH₂)2(C₆H₂(C(CH₃)3)(CCC₆H₄CH₃)CH₂)2)(947622-67-5)

Safety Data

• Hazardous Substances Data: 947622-67-5(Hazardous Substances Data)

Upstream product

• 947622-63-1 (HOC₆H₂(C(CH₃)3)CH₂)2(C₆H₂(C(CH₃)3)(CCC₆H₄CH₃)CH₂)2 
• 544-97-8 dimethyl zinc(II) 

Relevant articles and documents

Tunable π-interactions in monomeric organozinc complexes: Solution and solid-state studies

A series of the calix[4]arene ligands, partially oxygen-depleted at the 1 and 3 positions via the Sonogashira cross-coupling reaction with several arylacetylenes, were prepared. Upon reaction with R2-Zn (R = Me, Et, C6F5), the corresponding organozinc complexes were obtained. X-ray analysis showed weak π-interactions between the organozinc fragment and the triple bonds. In addition, the solution 13C NMR studies showed good correlation between the strength of these interactions and electron density at the acetylene group, with more electron-rich alkynes binding stronger to the Zn center. The latter was also supported by DFT calculations on a model compound. These results show that, albeit weak, π-interactions of organozinc compounds can be observed and fine-tuned in both solution and the solid state.