1401464-72-9

Basic information

• Product Name: C₁₁H₈⁽²⁾H₈O₂
• CAS NO: 1401464-72-9
• Molecular Weight: 188.183
• Mol File: 1401464-72-9.mol

Chemical Properties

• CAS DataBase Reference: C₁₁H₈⁽²⁾H₈O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₁H₈⁽²⁾H₈O₂(1401464-72-9)
• EPA Substance Registry System: C₁₁H₈⁽²⁾H₈O₂(1401464-72-9)

Safety Data

• Hazardous Substances Data: 1401464-72-9(Hazardous Substances Data)

Upstream product

• 811-98-3 d⁽⁴⁾-methanol 
• 673-32-5 1-Phenylprop-1-yne 

Relevant articles and documents

Reaction Intermediates Kinetics in Solution Investigated by Electrospray Ionization Mass Spectrometry: Diaurated Complexes

A new method to investigate the reaction kinetics of intermediates in solution by electrospray ionization mass spectrometry is presented. The method, referred to as delayed reactant labeling, allows investigation of a reaction mixture containing isotopically labeled and unlabeled reactants with different reaction times. It is shown that we can extract rate constants for the degradation of reaction intermediates and investigate the effects of various reaction conditions on their half-life. This method directly addresses the problem of the relevance of detected gaseous ions toward the investigated reaction solution. It is demonstrated for geminally diaurated intermediates formed in the gold mediated addition of methanol to alkynes. Delayed reactant labeling allows us to directly link the kinetics of the diaurated intermediates with the overall reaction kinetics determined by NMR spectroscopy. It is shown that the kinetics of protodeauration of these intermediates mirrors the kinetics of the addition of methanol demonstrating they are directly involved in the catalytic cycle. Formation as well as decomposition of diaurated intermediates can be drastically slowed down by employing bulky ancillary ligands at the gold catalyst; the catalytic cycle then proceeds via monoaurated intermediates. The reaction is investigated for 1-phenylpropyne (Ph-CC-CH3) using [AuCl(PPh3)]/AgSbF6 and [AuCl(IPr)]/AgSbF6 as model catalysts. Delayed reactant labeling is achieved by using a combination of CH3OH and CD3OH or Ph-CC-CH3 and Ph-CC-CD3.

Gold-gold cooperation in the addition of methanol to alkynes

The gold(I)-mediated reaction between an internal alkyne and methanol proceeds by a dual activation mechanism, which directly results in formation of gem-diaurated intermediates. Reaction intermediates were investigated by IR multiphoton dissociation spectroscopy, kinetics by NMR spectroscopy, and the mechanism by DFT calculations. Copyright