Bis[di-tert-butyl(4-dimethylaminophenyl)phosphine]palladium(0) - ≥98% , CAS No.1233717-68-4

CAS: 1233717-68-4 Cat. No.: B151895 Molecular Weight: 637.18 EC Number: 692-119-5

GRADE & PURITY ≥98%

Synonyms

1233717-68-4|Bis[di-tert-butyl(4-dimethylaminophenyl)phosphine]palladium(0)|4-ditert-butylphosphanyl-N,N-dimethylaniline;palladium|Bis[di-tert-butyl(4-diMethylaMinophenyl)phosphine]palladiuM(0), Pd 16.7per cent|Palladium, bis[4-[bis(1,1-dimethylethyl)phos

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1233717-68-4 | Bis[di-tert-butyl(4-dimethylaminophenyl)phosphine]palladium(0) | 4-ditert-butylphosphanyl-N, N-dimethylaniline;palladium | Bis[di-tert-butyl(4-diMethylaMinophenyl)phosphine]palladiuM(0), Pd 16.7per cent | Palladium, bis[4-[bis(1, 1-dimethylethyl)phos

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.[Pd]
• IUPAC Name: 4-ditert-butylphosphanyl-N,N-dimethylaniline;palladium
• InChIKey: SSPOQURGNAWORH-UHFFFAOYSA-N
• INCHI: 1S/2C16H28NP.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;/h2*9-12H,1-8H3
• Isomeric SMILES: CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.[Pd]
• Molecular Weight: 637.18
• Reaxy-Rn: 35657087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35657087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Phosphine - Organic transition metal salt - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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: Insoluble in water.
• Sensitivity: Air Sensitive.
• Molecular Weight: 637.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 636.295 Da
• Monoisotopic Mass: 636.295 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 237.000
• 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

XLogP3