Bis(1,5-cyclooctadiene)nickel(0) - ≥96% , CAS No.1295-35-8

CAS: 1295-35-8 Cat. No.: B115561 Peso molecular: 275.06 Número EC: 215-072-0

GRADE & PURITY ≥96%

Synonyms

Bis(1,5-cyclooctadiene)nickel (0) | Bis(cyclooctadiene)nickel(0) | bis((1Z,5Z)-cycloocta-1,5-diene) nickel | Ni(COD)2 | Bis((1,2,5,6-eta)-1,5-cyclooctadiene)nickel | A805947 | MFCD00058902 | Nickel, bis((1,2,5,6-eta)-1,5-cyclooctadiene)- | Bis(1,5-cyclooc

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Reactant for:

• Oxidative addition reactions

Catalyst for:

• Asymmetric α-arylation and heteroarylation of ketones with chloroarenes

• Cross-coupling reactions

• Regioselective and stereoselective carboxylation/cyclization of allenyl aldehydes under a carbon dioxide atmosphere

• Methyl carboxylation of homopropargylic alcohols

• Stereoselective borylative ketone-diene coupling

• Cycloaddition of benzamides with internal alkynes

Specifications

Sinónimos

Bis(1, 5-cyclooctadiene)nickel (0) | Bis(cyclooctadiene)nickel(0) | bis((1Z, 5Z)-cycloocta-1, 5-diene) nickel | Ni(COD)2 | Bis((1, 2, 5, 6-eta)-1, 5-cyclooctadiene)nickel | A805947 | MFCD00058902 | Nickel, bis((1, 2, 5, 6-eta)-1, 5-cyclooctadiene)- | Bis(1, 5-cyclooc

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1CC=CCCC=C1.C1CC=CCCC=C1.[Ni]
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;nickel
• InChIKey: JRTIUDXYIUKIIE-KZUMESAESA-N
• INCHI: 1S/2C8H12.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;/b2*2-1-,8-7-
• Isómeros SMILES: C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ni]
• WGK Alemania: 3
• RTECS: QR6135000
• Número ONU: 1325
• Grupo de embalaje: II
• Peso molecular: 275.06
• Reaxy-Rn: 14248176
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14248176&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double 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

• Solubilidad: Soluble in benzene, toluene, terahydrofuran, ether, dimethyl formamide, hexamethylphosphoramide, N-methylpyrrolidinone. Insoluble in water.
• Sensibilidad: Light & Air & Moisture & heat Sensitive
• Punto de fusión (°C): 60°C
• Peso molecular: 275.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 274.123 Da
• Monoisotopic Mass: 274.123 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 72.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 3

XLogP3

Referencias

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