Phenacyltriphenylphosphonium bromide - technical grade, ≥90% , CAS No.6048-29-9

CAS: 6048-29-9 Cat. No.: P476936 Formula: C₂₆H₂₂BrOP Peso molecolare: 461.33 Beilstein Registry Number: 3642554 Numero EC: 227-945-3

GRADE & PURITY Technical grade, ≥90%

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

Panoramica

Description

Catalyst for protections and deprotection of alcohols via etherificationReactant involved in:Investigations of gas-phase pyrolysisAsymmetric hydroxylamine / enone cascade reactionsReductive Michael cyclizationsMicrowave-assisted Wittig olefinationSynthesis of polyfunctionally substituted heterocycles

Specifications

Sinonimi

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

Specifiche e purezza

technical grade, ≥90%

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Grado tecnico

Purezza

≥90%

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

WGK Germania

3

RTECS

TA2400000

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 266°C
• Peso molecolare: 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

XLogP3