1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene(acetonitrile)gold(I) tetrafluoroborate, 95%

• CAS: 896733-61-2
• Catalog Number: ACM896733612
• Category: Other Products
• Molecular Weight: 712.414g/mol
• Molecular Formula: C29H38AuBF4N3-
• Synonyms: 1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene(acetonitrile)gold(I) tetrafluoroborate, 95%;896733-61-2
• IUPAC Name: 1,3-di(propan-2-yl)benzene-2-ide;(2E)-2-[3-[2,6-di(propan-2-yl)phenyl]-1H-imidazol-2-ylidene]acetonitrile;gold(1+);tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CC(C)C1=[C-]C(=CC=C1)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CNC2=CC#N.[Au+]
• InChI: InChI=1S/C17H21N3.C12H17.Au.BF4/c1-12(2)14-6-5-7-15(13(3)4)17(14)20-11-10-19-16(20)8-9-18;1-9(2)11-6-5-7-12(8-11)10(3)4;;2-1(3,4)5/h5-8,10-13,19H,1-4H3;5-7,9-10H,1-4H3;;/q;-1;+1;-1/b16-8+
• InChI Key: SUYOETKSMAJMIH-QPJJLOBJSA-N
• Application: Gold(I) catalyst for the cycloisomerization of 1,5-enynes bearing a propargylic acetate.
• Complexity: 658
• Covalently-Bonded Unit Count: 4
• Defined Bond Stereocenter Count: 1
• Exact Mass: 712.276g/mol
• Formal Charge: -1
• H-Bond Acceptor: 9
• H-Bond Donor: 1
• Heavy Atom Count: 38
• Monoisotopic Mass: 712.276g/mol
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 39.1A^2