Phenacyltriphenylphosphonium bromide - ≥97% , CAS No.6048-29-9

CAS: 6048-29-9 Cat. No.: P123596 Peso molecular: 461.33 Beilstein Registry Number: 3642554 Número EC: 227-945-3

GRADE & PURITY ≥97%

Synonyms

FT-0635954 | UNII-7Q4EJF9TR6 | Z57079474 | AM1093 | DTXSID40975889 | A832751 | P1182 | Phosphonium, phenacyltriphenyl-, bromide | 7Q4EJF9TR6 | Tox21_111852 | (2-Oxo-2-phenylethyl)triphenylphosphonium bromide | AKOS001064827 | C72583 | NSC 6743 | Benzoylme

Storage

Room temperature

Shipped In

Normal

Descripción general

Reactant involved in: 1.Catalyst for protections and deprotection of alcohols via etherification. 2.Investigations of gas-phase pyrolysis. 3. Asymmetric hydroxylamine / enone cascade reactions. 4.Reductive Michael cyclizations. 5.Microwave-assisted Wittig olefination. 6.Synthesis of polyfunctionally substituted heterocycles.

Specifications

Sinónimos

FT-0635954 | UNII-7Q4EJF9TR6 | Z57079474 | AM1093 | DTXSID40975889 | A832751 | P1182 | Phosphonium, phenacyltriphenyl-, bromide | 7Q4EJF9TR6 | Tox21_111852 | (2-Oxo-2-phenylethyl)triphenylphosphonium bromide | AKOS001064827 | C72583 | NSC 6743 | Benzoylme

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: phenacyl(triphenyl)phosphanium;bromide
• InChIKey: AEHDSYHVTDJGDN-UHFFFAOYSA-M
• INCHI: 1S/C26H22OP.BrH/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• WGK Alemania: 3
• RTECS: TA2400000
• Peso molecular: 461.33
• Beilstein: 3642554
• Reaxy-Rn: 3642554
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3642554&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: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Organopnictogen compounds Organophosphorus compounds Organic oxides Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Phenylphosphine - Ketone - Organic bromide salt - Organic salt - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic 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

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 266°C
• Peso molecular: 461.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 460.059 Da
• Monoisotopic Mass: 460.059 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 431.000
• 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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