Dichlorobis(tri-o-tolylphosphine)palladium - ≥98% , CAS No.40691-33-6

CAS: 40691-33-6 Cat. No.: D294549 Molecular Weight: 786.06 EC Number: 664-487-7 PubChem CID: 10876480

GRADE & PURITY ≥98%

Synonyms

Umicore CX74 | AMY39312 | palladium-bis-(tri-o-tolylphosphine)-dichloride | MFCD00274659 | bis[tri(ortho-tolyl)phosphine] palladium chloride | SB40667 | SCHEMBL105624 | AKOS000713717 | AS-11249 | SC10409 | OTYPIDNRISCWQY-UHFFFAOYSA-L | BCP21896 | AMY41916

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product description：

Dichlorobis(tri-o-tolylphosphine)palladium(II) is a useful catalyst for C-C and C-N coupling reactions.

Application：

Catalyst for C-C and C-N coupling reaction.

Dichlorobis(tri-o-tolylphosphine)palladium(II) has been employed as catalyst for the following studies:

Reaction of tributyltin enolates, prepared in situ from tributyltin methoxide and enol acetates, with aryl bromides.

Coupling reaction of aryl bromides with vinylic acetates.

Negishi-Reformatsky coupling reaction of aryl bromides with ethyl 2-(tributylstannyl)acetates.

Synthesis of (E)-methyl 3-(7-indolyl)-2-methacrylate, via Heck reaction.

Synthesis of imidazopyrimidine derivatives.

Specifications

Synonyms

Umicore CX74 | AMY39312 | palladium-bis-(tri-o-tolylphosphine)-dichloride | MFCD00274659 | bis[tri(ortho-tolyl)phosphine] palladium chloride | SB40667 | SCHEMBL105624 | AKOS000713717 | AS-11249 | SC10409 | OTYPIDNRISCWQY-UHFFFAOYSA-L | BCP21896 | AMY41916

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765670
• Canonical Smiles: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.Cl[Pd]Cl
• IUPAC Name: dichloropalladium;tris(2-methylphenyl)phosphane
• InChIKey: OTYPIDNRISCWQY-UHFFFAOYSA-L
• INCHI: 1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
• Isomeric SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 10876480
• Molecular Weight: 786.06
• Reaxy-Rn: 14570431

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Toluenes Organic phosphines and derivatives Organic transition metal salts Organic metal halides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Toluene - Phenylphosphine - Phosphine - Organic metal halide - Organic transition metal salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in ethanol, benzene, and ethereal solvents.
• Sensitivity: Air Sensitive,Moisture Sensitive
• Melt Point(°C): 280°C
• Molecular Weight: 786.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 784.117 Da
• Monoisotopic Mass: 784.117 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 289.000
• 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: 3

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