C-H Activation Catalysts

Cas#: 85417-41-0        Compound CID:  2734597

Formula:  C₂₄H₂₇O₆P        Molecular Weight: 442.45

IUPAC Name: tris(2,6-dimethoxyphenyl)phosphane

SMILES: COC1=C(C(=CC=C1)OC)P(C2=C(C=CC=C2OC)OC)C3=C(C=CC=C3OC)OC

InChIKey: CMLWFCUAXGSMBB-UHFFFAOYSA-N

InChI: InChI=1S/C24H27O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h7-15H,1-6H3

Cas#: 80049-61-2        Compound CID:  11080566

Formula:  [(C₅H₅)Ru(CH₃CN)₃]PF₆        Molecular Weight: 434.28

SMILES: CC#N.CC#N.CC#N.C1=C[CH]C=C1.F[P-](F)(F)(F)(F)F.[Ru+]

InChIKey: HJQVFVSAQOQXRG-UHFFFAOYSA-N

InChI: InChI=1S/C5H5.3C2H3N.F6P.Ru/c1-2-4-5-3-1;3*1-2-3;1-7(2,3,4,5)6;/h1-5H;3*1H3;;/q;;;;-1;+1

Cas#: 2283-11-6        Compound CID:  75292

Formula:  C₁₂H₃₀N₃P        Molecular Weight: 247.36

IUPAC Name: N-[bis(diethylamino)phosphanyl]-N-ethylethanamine

SMILES: CCN(CC)P(N(CC)CC)N(CC)CC

InChIKey: FDIOSTIIZGWENY-UHFFFAOYSA-N

InChI: InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3

Cas#: 15635-87-7        Compound CID:  11027360

Formula:  [CH₃COCH=C(O-)CH₃]₃Ir        Molecular Weight: 489.54

IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;iridium

SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ir]

InChIKey: AZFHXIBNMPIGOD-LNTINUHCSA-N

InChI: InChI=1S/3C5H8O2.Ir/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;

Cas#: 14024-18-1        Compound CID:  5483663

Formula:  C₁₅H₂₁FeO₆        Molecular Weight: 353.17

IUPAC Name: iron(3+);(Z)-4-oxopent-2-en-2-olate

SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Fe+3]

InChIKey: AQBLLJNPHDIAPN-LNTINUHCSA-K

InChI: InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;

Cas#: 7440-05-3(water)       

Cas#: 873779-78-3        Compound CID:  117058582

Formula:  C₂₁H₂₄ClCuN₂        Molecular Weight: 403.43

IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+);chloride

SMILES: CC1=CC(=C(C(=C1)C)N2C=C[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C.[Cl-].[Cu+]

InChIKey: JMQRNHTTZWNLMH-UHFFFAOYSA-M

InChI: InChI=1S/C21H24N2.ClH.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;1H;/q;;+1/p-1

Cas#: 578743-87-0        Compound CID:  86677033

Formula:  C₂₇H₃₆ClCuN₂        Molecular Weight: 487.59

IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;chlorocopper(1+)

SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2[CH-]N(C=C2)C3=C(C=CC=C3C(C)C)C(C)C.Cl[Cu+]

InChIKey: HKRINCVYMIAYBE-UHFFFAOYSA-M

InChI: InChI=1S/C27H37N2.ClH.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-21H,1-8H3;1H;/q-1;;+2/p-1

Cas#: 1375325-71-5        Compound CID:  60201440

Formula:  C₂₄H₃₇ClNPPd        Molecular Weight: 512.41

IUPAC Name: chloropalladium(1+);2-phenylaniline;tritert-butylphosphane

SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]

InChIKey: DZNFQIYYEXFFGV-UHFFFAOYSA-M

InChI: InChI=1S/C12H10N.C12H27P.ClH.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-10(2,3)13(11(4,5)6)12(7,8)9;;/h1-6,8-9H,13H2;1-9H3;1H;/q-1;;;+2/p-1

Cas#: 13682-92-3        Compound CID:  6452712

Formula:  C₂H₆AlNO₄        Molecular Weight: 135.05

Cas#: 1228009-69-5        Compound CID:  76185926

Formula:  C₃₅H₄₄ClN₃OPd        Molecular Weight: 664.63

IUPAC Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;N-phenylacetamide;chloride

SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Pd])C3=C(C=CC=C3C(C)C)C(C)C.CC(=O)NC1=CC=CC=[C-]1.[Cl-]

InChIKey: HUZJVJUMFACGKJ-UHFFFAOYSA-M

InChI: InChI=1S/C27H36N2.C8H8NO.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-7(10)9-8-5-3-2-4-6-8;;/h9-16,18-21H,1-8H3;2-5H,1H3,(H,9,10);1H;/q;-1;;/p-1

Cas#: 2226-88-2        Compound CID:  160625

Formula:  C₄H₁₂N₂O₄        Molecular Weight: 152.15

IUPAC Name: diazanium;butanedioate

SMILES: C(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

InChIKey: NHJPVZLSLOHJDM-UHFFFAOYSA-N

InChI: InChI=1S/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3