(2-Dicyclohexylphosphino-2′,6′-diisopropoxy-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate - ≥98% , CAS No.1445085-77-7

CAS: 1445085-77-7 Cat. No.: M396600 Peso molecular: 836.37 Número EC: 809-028-5 PubChem CID: 117064724

GRADE & PURITY ≥98%

Synonyms

1445085-77-7|Methanesulfonato(2-dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)|RuPhos-Pd-G3|MFCD22572684|dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Description：RuPhos Pd G3 is a third generation (G3) Buchwald precatalyst that can be used in cross-coupling reactions for the formation of C-C, C–N, C–O, C–F, C–CF3, and C–S bonds. It is air-, moisture-, and thermally-stable and is highly soluble in a wide range of common organic solvents. Some of its unique features include lower catalyst loadings, shorter reaction time, efficient formation of the active catalytic species and accurate control of ligand: palladium ratio.

Product Application：RuPhos Pd G3 can be used as a pre-catalyst in the following protocols:
• Palladium-catalyzed Suzuki coupling of 5-p-toluenesulfonyltetrazoles with arylboronic acids to synthesize 1,5-disubstituted tetrazoles.
• Suzuki-Miyaura catalyst-transfer polycondensation (SCTP) of 3-alkylthiophenes in the presence of N-methylimidodiacetic (MIDA)-boronate monomers.
• Suzuki-Miyaura-cross-coupling of aminothiophenes.

Specifications

Sinónimos

1445085-77-7 | Methanesulfonato(2-dicyclohexylphosphino-2', 6'-di-i-propoxy-1, 1'-biphenyl)(2'-amino-1, 1'-biphenyl-2-yl)palladium(II) | RuPhos-Pd-G3 | MFCD22572684 | dicyclohexyl-[2-[2, 6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phe

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772825
• Sonrisas canónicas: 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]
• IUPAC Name: dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
• InChIKey: GYTUQNMMIUJBSP-UHFFFAOYSA-N
• 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
• Isómeros 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]
• WGK Alemania: 3
• PubChem CID: 117064724
• Peso molecular: 836.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Primary aromatic amines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Biphenyl - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Primary aromatic amine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Phosphine - Organic transition metal salt - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic anion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 188-196 °C
• Peso molecular: 837.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 836.273 Da
• Monoisotopic Mass: 836.273 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 52
• Formal Charge: -1
• Complexity: 964.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

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