Benzyltriphenylphosphonium bromide - ≥98% , CAS No.1449-46-3

CAS: 1449-46-3 Cat. No.: B102751 Peso molecular: 433.32 Beilstein Registry Number: 3599867 Número EC: 215-908-4

GRADE & PURITY ≥98%

Synonyms

benzyl(triphenyl)phosphanium;bromide | Benzyltriphenylphosphonium bromide | Bromo(benzyl)triphenylphosphorane | Benzyl triphenyl phosphonium bromide | Phosphonium, triphenyl(phenylmethyl)-, bromide (1:1)

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactant for:
Stereoselective azidolysis of vinyl epoxides
Enantioselective aziridination and Friedel-Crafts cyclization for asymmetric synthesis of dihydrexidine
Biomimetic iron(III) mediated oxidative dimerization for synthesis of benzoquinone parvistemin A
Enantioselective sytnhesis of syn-diarylheptanoids from D-glucose
Preparation of β-amyloid plaque ligands
Decarboxylative cyclopropanation.

Specifications

Sinónimos

benzyl(triphenyl)phosphanium;bromide | Benzyltriphenylphosphonium bromide | Bromo(benzyl)triphenylphosphorane | Benzyl triphenyl phosphonium bromide | Phosphonium, triphenyl(phenylmethyl)-, bromide (1:1)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761233
• Sonrisas canónicas: C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: benzyl(triphenyl)phosphanium;bromide
• InChIKey: WTEPWWCRWNCUNA-UHFFFAOYSA-M
• INCHI: 1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(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[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• WGK Alemania: 3
• Peso molecular: 433.32
• Beilstein: 3599867
• Reaxy-Rn: 3599867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3599867&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: Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - 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

Objetivos asociados (no humanos)

Schistosoma mansoni (6170 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water;souble in Methanol
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 295-298°C
• Peso molecular: 433.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 432.064 Da
• Monoisotopic Mass: 432.064 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 347.000
• 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

Referencias

1. Tao Zhou, Xiaoqing Zhang, Minglu Bu, Caihong Lei.  (2023)  Tuning the properties of bio-based epoxy resins by varying the structural unit rigidity in oligomers and curing procedures.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112326]

2. Bin Yu, Songxue Bai, Zhenglin Jia, Haitao Tang, Yong Liu, Hailin Liu, Qianqian Lin.  (2024)  Flexible and Transparent Phosphonium-Based Metal Halide Glass Scintillators for High-Resolution X-ray Imaging.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c01334]

3. Qi Wang, Jian-Qiang Zhao, Peng-Yao Xuan, Xin-Yuan Li, Zhao-Xi Wang, Hao-Shuo Lu, Xiao-Wu Lei, Zhihong Jing, Cheng-Yang Yue.  (2025)  Dual Blue Fluorescence and Green Phosphorescence of Hybrid Cadmium Halide for Anti-counterfeiting.  Materials Chemistry Frontiers,      [PMID:] [10.1039/D5QM00243E]

4. Zhi-Wei Chen, Na Lin, Xin-Yue Zhang, Yu-Sha Yan, Li Xiao, Yi-Fan Wu, Cheng-Yang Yue, Dongpeng Yan, Xiao-Wu Lei.  (2025)  A Universal Doping Strategy for Boosting Luminescence Efficiency of Blue-Emitting Hybrid Zn Halides as Ultrastable and Underwater Scintillators.  Aggregate,  6  (9): (e70112).  [PMID:] [10.1002/agt2.70112]

5. Jianxin Wu, Xingshan Yin, Zhiyi Huang, Lei Ji, Xiaofeng Lin, Wenjing Lin, Yingjuan Sun, Guobin Yi.  (2025)  Imine-Containing Thermosetting Epoxy Resin and Closed-Loop Recycling of Carbon Fiber Reinforced Composites.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c02478]