763233

[2-(Dicyclohexylphosphino)-3,6-dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl]gold(I) bis(trifluoromethanesulfonyl)imide

• Synonym(s): BrettPhos AuNTf₂
• Empirical Formula (Hill Notation): C₃₇H₅₃AuF₆NO₆PS₂
• CAS Number: 1296269-97-0
• Molecular Weight: 1013.88
• MDL number: MFCD22572681
• UNSPSC Code: 12161600
• PubChem Substance ID: 329767037
• NACRES: NA.22

Properties

• form: solid
• reaction suitability: core: gold; reaction type: Cross Couplings; reagent type: catalyst
• mp: 192-209 °C (decomposition)
• SMILES string: FC(F)(F)S(=O)(=O)N([Au])S(=O)(=O)C(F)(F)F.COc1ccc(OC)c(c1P(C2CCCCC2)C3CCCCC3)-c4c(cc(cc4C(C)C)C(C)C)C(C)C
• InChI: 1S/C35H53O2P.C2F6NO4S2.Au/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h19-25,27-28H,9-18H2,1-8H3;;/q;-1;+1
• InChI key: SMTGSBLIUQSWAP-UHFFFAOYSA-N

Description

Application

Bulky gold pi-acid catalyst used in oxidative cyclization reactions.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable