2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium Bromide - ≥98% , CAS No.69891-92-5

CAS: 69891-92-5 Cat. No.: D133991 Peso molecular: 457.35 Beilstein Registry Number: 4117570 Número EC: 274-189-5

GRADE & PURITY ≥98%

Synonyms

(2-(1,3-Dioxan-2-yl)ethyl)triphenylphosphonium bromide | (2-(1,3-Dioxan-2-yl)ethyl)-triphenylphosphonium bromide | MFCD00012000 | 2-(1,3-Dioxan-2-yl) ethyltriphenylphosphonium bromide | 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium;bromide | 2-(1,3-Dioxan

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

application：

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide can be used:

As a three-carbon homologating agent used to prepare α,β- or β,γ- unsaturated compounds.

In the olefination of methyl 5-oxopentanoate to yield methyl 7-(1,3-dioxan2-yl)hept-(5Z)-enoate.

As a cathode interfacial layer material in polymer solar cells.

Specifications

Sinónimos

(2-(1, 3-Dioxan-2-yl)ethyl)triphenylphosphonium bromide | (2-(1, 3-Dioxan-2-yl)ethyl)-triphenylphosphonium bromide | MFCD00012000 | 2-(1, 3-Dioxan-2-yl) ethyltriphenylphosphonium bromide | 2-(1, 3-dioxan-2-yl)ethyl-triphenylphosphanium;bromide | 2-(1, 3-Dioxan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

• Sonrisas canónicas: C1COC(OC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium;bromide
• InChIKey: XETDBHNHTOJWPZ-UHFFFAOYSA-M
• INCHI: 1S/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1
• Isómeros SMILES: C1COC(OC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• WGK Alemania: 3
• Peso molecular: 457.35
• Beilstein: 4117570
• Reaxy-Rn: 4117571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4117571&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: 1,3-dioxanes Oxacyclic compounds Acetals Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Meta-dioxane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol：almost transparency
• Sensibilidad: light & Moisture sensitive
• Punto de fusión (°C): 183-195°C
• Peso molecular: 457.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 456.085 Da
• Monoisotopic Mass: 456.085 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 371.000
• 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: 2

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