Allyltriphenylphosphonium bromide - ≥98% , CAS No.1560-54-9

CAS: 1560-54-9 Cat. No.: A124746 Peso molecular: 383.271 Número EC: 216-332-6

GRADE & PURITY ≥98%

Synonyms

2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE | Phosphonium, allyltriphenyl-, bromide | 2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE;ALLYLTRIPHENYLPHOSPHONIUM BROMIDE;TAL | NSC 59815 | allyl triphenylphosphonium bromide | D70162 | JC10067 | Triphenyl allylphosphonium

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactant for: Preparation of a diol and carbamate chemistry library for common functional groups Regioselective synthesis of alkenes via semihydrogenation and semihydrogenation-oxidation of dienes Alkene addition of frustrated Lewis pairs Olefination of N-sulfonyl imines for stereoselective synthesis of vinyl arenes Wittig olefination of aldehydes for preparation of conjugated dienes Tandem Michael addition / ylide olefination reactions for the synthesis of highly functionalized cyclohexadienes

Specifications

Sinónimos

2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE | Phosphonium, allyltriphenyl-, bromide | 2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE;ALLYLTRIPHENYLPHOSPHONIUM BROMIDE;TAL | NSC 59815 | allyl triphenylphosphonium bromide | D70162 | JC10067 | Triphenyl allylphosphonium

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188581
• Sonrisas canónicas: C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: triphenyl(prop-2-enyl)phosphanium;bromide
• InChIKey: FWYKRJUVEOBFGH-UHFFFAOYSA-M
• INCHI: 1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
• Isómeros SMILES: C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• WGK Alemania: 3
• RTECS: TA1843000
• CAS alternativo: 15912-76-2
• Peso molecular: 383.271
• Reaxy-Rn: 3579053
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3579053&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)

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

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 222-225°C
• Peso molecular: 383.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 382.049 Da
• Monoisotopic Mass: 382.049 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 284.000
• 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. Jianyu Qin, Wenchao Zhang, Rongjie Yang.  (2020)  Synthesis of novel phosphonium bromide-montmorillonite nanocompound and its performance in flame retardancy and dielectric properties of epoxy resins.  POLYMER COMPOSITES,  42  (1): (362-374).  [PMID:] [10.1002/pc.25831]

2. Jian-Fei Sun, Yu-Jin Qin, Yong-Liang Zhang, Zhan-You Sa, Jie Liu, Yu-Hua Wang, Chun-Yuan Wang, Qing-Lei Tan.  (2024)  Homogeneous and heterogeneous ionic liquids catalyze CO2 cycloaddition reaction.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.140534]

3. Rui Sun, Qiang Wang, Zhenghao Kou, Yihan Huang, Xinbo Geng, Ruitong Xu, Haowen Yu, Han Jia, Hui Yan.  (2025)  Experimental and theoretical investigations on the corrosion inhibition performance of acrylamide-allyltriphenylphosphonium bromide copolymer for mild steel in 1 M HCl aqueous solution.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.143977]