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RuPhos-Pd-G3

CAT: 0127-OR938447Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1445085-77-7
Synonyms
[2- (2-Aminophenyl) phenyl]-methylsulfonyloxypalladium; dicyclohexyl-[2-[2,6-di (propan-2-yloxy) phenyl]phenyl]phosphane, RuPhos-G3-Palladacycle, Methanesulfonato (2-dicyclohexylphosphino-2',6'-di-isopropoxy-1,1'-biphenyl) (2'-amino-1,1'-biphenyl-2-yl) palladium (II)
MDL Number
MFCD22572684
Purity
98%, Pd:12%, High Purity
Smiles
CC(C)Oc1cccc(OC(C)C)c1c2ccccc2P(C3CCCCC3)C4CCCCC4.CS(=O)(=O)O[Pd]c5ccccc5c6ccccc6N
Storage Conditions
Store at 2-8°C

Chemical Information

(2-Dicyclohexylphosphino-2,6-diisopropoxy-1,1-biphenyl)(2-(2-amino-1,1-biphenyl))palladium(II) methanesulfonate
CAS Number1445085-77-7
PubChem CID117064724
IUPAC Namedicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
Molecular FormulaC43H57NO5PPdS-
Molecular Weight837.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count52
Formal Charge-1
Complexity964
SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI
InChI=1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChIKey
GYTUQNMMIUJBSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Dicyclohexylphosphino-2,6-diisopropoxy-1,1-biphenyl)(2-(2-amino-1,1-biphenyl))palladium(II) methanesulfonate
CAS: 1445085-77-7
CID: 117064724
Formula: C43H57NO5PPdS-
MW: 837.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight837.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass836.27299
Monoisotopic Mass836.27299
Topological Polar Surface Area107 Ų
Heavy Atom Count52
Formal Charge-1
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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