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[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]hydroxygold

  • CAS No. 1240328-73-7

  • Cat. No. CS-0098968
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]hydroxygold|CS-0098968

Structure of 1240328-73-7

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General Information

  • CAS No. 1240328-73-7
  • Cat. No. CS-0098968
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₇H₃₇AuN₂O
  • Molecular Weight 602.57
  • Synonym(s) 1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidenegold(I) hydroxide
  • SMILES O[Au]C1N(C2=C(C(C)C)C=CC=C2C(C)C)C=CN1C3=C(C(C)C)C=CC=C3C(C)C

Description

This gold(I) N-heterocyclic carbene complex features a sterically shielded imidazolylidene ligand with two 2,6-diisopropylphenyl groups, enhancing stability and solubility in organic solvents. The hydroxygold moiety enables direct functionalization in catalytic transformations, offering high reactivity under mild conditions while resisting decomposition.

Application

[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]hydroxygold serves as a stable, bench-accessible N-heterocyclic carbene gold(I) complex that facilitates efficient C–H activation and conjugate addition reactions. Its steric bulk enhances catalyst longevity and selectivity in polar solvents, while the hydroxide ligand enables mild, water-tolerant transformations. Functions reliably in enyne cyclizations and alkyne functionalizations, offering predictable reactivity with broad functional group compatibility for synthetic and process chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.71
  • LogP   7.2514
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   7

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