6104-51-4

Basic information

• Product Name: Benzene, 1,1',1''-(2-propynylidyne)tris-
• CAS NO: 6104-51-4
• Molecular Formula: C21H16
• Molecular Weight: 268.358
• Mol File: 6104-51-4.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: Benzene, 1,1',1''-(2-propynylidyne)tris-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1,1',1''-(2-propynylidyne)tris-(6104-51-4)
• EPA Substance Registry System: Benzene, 1,1',1''-(2-propynylidyne)tris-(6104-51-4)

Safety Data

• Hazardous Substances Data: 6104-51-4(Hazardous Substances Data)

Upstream product

• 65032-27-1 ethynylmagnesium chloride 
• 76-83-5 trityl chloride 
• 4301-14-8 acetylenemagnesium bromide 
• 74-86-2 acetylene 
• 595-91-5 triphenylacetic acid 
• 75-24-1 trimethylaluminum 

Downstream Products

• 1193893-56-9 2,5-bis(3,3,3-triphenylpropynyl)pyridine 
• 1193893-67-2 3,6-bis(3,3,3-triphenylpropynyl)pyridazine 
• 1193893-62-7 C₄₇H₃₁⁽²⁾H₂N 

Relevant articles and documents

Crystalline Monomeric Allenyl/Propargyl Radical

Reduction of alkynyl iminium salts derived from cyclic (alkyl)(amino)carbenes (CAACs) affords propargyl/allenyl radicals. Depending on the nature of the CAAC and alkyne substituents, these radicals can irreversibly dimerize, exist as monomers in solution

Crystals and aggregates of a molecular tetrarotor with multiple trityl embraces derived from tetraphenyladamantane

Samples of tetrakis-1,3,5,7-(4′-(3″,3″,3″- triphenylpropynyl)-phenylene)adamantane and its trityl-deuterated isotopologue were synthesized and their crystallization and packing properties were analyzed within the context of formation of 4- or 6-fold phenyl embraces. The tetrahedral shape of these molecules with four propeller-like triphenylmethyl moieties generates several edge-to-face intermolecular interactions in the solid state that result in the formation of infinite chains of molecules that are tightly interlocked. The formation of analogous edge-to-face intermolecular interactions leading to aggregation in solution was also suggested by NMR experiments carried out in different solvents as a function of concentration. The formation of interdigitated chains was also manifested in fibrils and thin needles, which were documented by scanning electron microscopy (SEM). Single crystal X-ray diffraction studies revealed the presence of multiple 4-fold phenyl embraces and edge-to-face interactions as the leading motifs behind the formation of tightly interlocked molecular chains.

Effects of rotational symmetry order on the solid state dynamics of phenylene and diamantane rotators

The rotational dynamics of phenylene and diamantane rotators in crystals of 1,9-bis(4-[3,3,3-triphenylpropynyl]phenyl)diamantane were analyzed independently within the same crystal structure. The dynamics of phenylene rotation were established by dynamic line shape analysis using 13C CPMAS NMR. The phenylene signals were selectively highlighted by deuteration of the aromatic trityls and the use of short contact times for cross polarization. The dynamics of the diamantane group were established by 1H spin-lattice relaxation under conditions where dipolar relaxation was shown to be the dominant mechanism between 250 and 425 K. A factor of 20000 between the rates of rotation of the faster diamantane and the slower phenylene at 300 K supports expectations that higher symmetry rotors should have significantly faster dynamics. Copyright