Buchwald Ligands

Cas#: 147702-15-6        Compound CID:  56845899

Formula:  C₄₀H₂₆O₂        Molecular Weight: 538.6

IUPAC Name: dichloromethane;3-(4-hydroxy-2-phenylphenanthren-3-yl)-2-phenylphenanthren-4-ol

SMILES: C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)O)C5=C(C=C6C=CC7=CC=CC=C7C6=C5O)C8=CC=CC=C8.C(Cl)Cl

InChIKey: FXFOHEGGSYVOKR-UHFFFAOYSA-N

InChI: InChI=1S/C40H26O2.CH2Cl2/c41-39-35-29(21-19-27-15-7-9-17-31(27)35)23-33(25-11-3-1-4-12-25)37(39)38-34(26-13-5-2-6-14-26)24-30-22-20-28-16-8-10-18-32(28)36(30)40(38)42;2-1-3/h1-24,41-42H;1H2

Cas#: 863659-89-6        Compound CID:  10840122

Formula:  C₄₀H₂₆O₂        Molecular Weight: 538.6

IUPAC Name: 1-(2-hydroxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalen-2-ol

SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4C(=C3O)C5=C(C(=CC6=CC=CC=C65)C7=CC8=CC=CC=C8C=C7)O

InChIKey: MUSCVMJLGBQKID-UHFFFAOYSA-N

InChI: InChI=1S/C40H26O2/c41-39-35(31-19-17-25-9-1-3-11-27(25)21-31)23-29-13-5-7-15-33(29)37(39)38-34-16-8-6-14-30(34)24-36(40(38)42)32-20-18-26-10-2-4-12-28(26)22-32/h1-24,41-42H

Cas#: 863659-88-5        Compound CID:  12181691

Formula:  C₄₀H₂₆O₂        Molecular Weight: 538.6

IUPAC Name: 1-(2-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)-3-naphthalen-1-ylnaphthalen-2-ol

SMILES: C1=CC=C2C(=C1)C=CC=C2C3=CC4=CC=CC=C4C(=C3O)C5=C(C(=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)O

InChIKey: FRYNHLQJUJCRFB-UHFFFAOYSA-N

InChI: InChI=1S/C40H26O2/c41-39-35(33-21-9-15-25-11-1-5-17-29(25)33)23-27-13-3-7-19-31(27)37(39)38-32-20-8-4-14-28(32)24-36(40(38)42)34-22-10-16-26-12-2-6-18-30(26)34/h1-24,41-42H

Cas#: 37517-81-0        Compound CID:  123460

Formula:  C₄H₅ClO₃        Molecular Weight: 136.53

IUPAC Name: methyl 3-chloro-3-oxopropanoate

SMILES: COC(=O)CC(=O)Cl

InChIKey: UTBCRHAMJFMIIR-UHFFFAOYSA-N

InChI: InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3

Cas#: 1352896-24-2        Compound CID:  92042985

Formula:  _C13H18BrNO2        Molecular Weight: 300.19

IUPAC Name: tert-butyl N-[(4-bromo-2-methylphenyl)methyl]carbamate

SMILES: CC1=C(C=CC(=C1)Br)CNC(=O)OC(C)(C)C

InChIKey: VHEPLPABOPCNNP-UHFFFAOYSA-N

InChI: InChI=1S/C13H18BrNO2/c1-9-7-11(14)6-5-10(9)8-15-12(16)17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)

Cas#: 157242-43-8        Compound CID:  12379213

Formula:  C₂₈H₂₈N₂        Molecular Weight: 392.55

IUPAC Name: (1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine

SMILES: C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(C3=CC=CC=C3)NCC4=CC=CC=C4

InChIKey: QEUWNGJNPLRKLR-NSOVKSMOSA-N

InChI: InChI=1S/C28H28N2/c1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-/m0/s1

Cas#: 235104-43-5        Compound CID:  58839397

Formula:  C₃₆H₃₂N₂        Molecular Weight: 492.67

IUPAC Name: (1S,2S)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine

SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65

InChIKey: XANGKRYJCUWBHS-ZPGRZCPFSA-N

InChI: InChI=1S/C36H32N2/c1-3-15-29(16-4-1)35(37-25-31-21-11-19-27-13-7-9-23-33(27)31)36(30-17-5-2-6-18-30)38-26-32-22-12-20-28-14-8-10-24-34(28)32/h1-24,35-38H,25-26H2/t35-,36-/m0/s1

Cas#: 221226-19-3        Compound CID:  10500742

Formula:  C₂₈H₂₈N₂        Molecular Weight: 392.5

IUPAC Name: (1R,2R)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine

SMILES: C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(C3=CC=CC=C3)NCC4=CC=CC=C4

InChIKey: QEUWNGJNPLRKLR-VSGBNLITSA-N

InChI: InChI=1S/C28H28N2/c1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-/m1/s1

Cas#: 399041-17-9        Compound CID:  11271849

Formula:  C₃₆H₃₂N₂        Molecular Weight: 492.67

IUPAC Name: (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine

SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65

InChIKey: XANGKRYJCUWBHS-LQFQNGICSA-N

InChI: InChI=1S/C36H32N2/c1-3-15-29(16-4-1)35(37-25-31-21-11-19-27-13-7-9-23-33(27)31)36(30-17-5-2-6-18-30)38-26-32-22-12-20-28-14-8-10-24-34(28)32/h1-24,35-38H,25-26H2/t35-,36-/m1/s1

Cas#: 324047-70-3        Compound CID:  25212691

Formula:  C₂₁H₂₂N₂        Molecular Weight: 302.4

IUPAC Name: (1R,2R)-N'-benzyl-1,2-diphenylethane-1,2-diamine

SMILES: C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(C3=CC=CC=C3)N

InChIKey: OSNKTPRQRNOZIK-NHCUHLMSSA-N

InChI: InChI=1S/C21H22N2/c22-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)23-16-17-10-4-1-5-11-17/h1-15,20-21,23H,16,22H2/t20-,21-/m1/s1

Cas#: 1105576-13-3        Compound CID:  54769323

Formula:  C₂₁H₁₉F₃N₂O₂S        Molecular Weight: 420.4

IUPAC Name: N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-(trifluoromethyl)benzenesulfonamide

SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)N

InChIKey: WVSQPMQOVRCKOM-WOJBJXKFSA-N

InChI: InChI=1S/C21H19F3N2O2S/c22-21(23,24)17-11-13-18(14-12-17)29(27,28)26-20(16-9-5-2-6-10-16)19(25)15-7-3-1-4-8-15/h1-14,19-20,26H,25H2/t19-,20-/m1/s1

Cas#: 300345-91-9        Compound CID:  20627074

Formula:  C₂₀H₂₀N₂O₂S        Molecular Weight: 352.5

IUPAC Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide

SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)N

InChIKey: UQFIIYNKTOHATG-PMACEKPBSA-N

InChI: InChI=1S/C20H20N2O2S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-25(23,24)18-14-8-3-9-15-18/h1-15,19-20,22H,21H2/t19-,20-/m0/s1