2-(1,3-Dioxolan-2-yl)ethyltriphenylphosphonium Bromide - ≥97% , CAS No.86608-70-0

CAS: 86608-70-0 Cat. No.: D136915 Peso molecular: 443.32 Beilstein Registry Number: 5209370 Número EC: 617-894-9

GRADE & PURITY ≥97%

Synonyms

(2-(1,3-Dioxolan-2-yl)ethyl)triphenylphosphoniumbromide | 2-(1,3-Dioxolan-2-yl)ethyltriphenylphosphonium bromide, 97% | ZCJKBPSRKLHANV-UHFFFAOYSA-M | [2-(1,3-dioxolan-2-yl)ethyl] triphenylphosphonium bromide | MFCD00075119 | Phosphonium, (2-(1,3-dioxolan-

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactant for: Wittig olefination Preparationof ligands for histamine receptor binding with H3/H4 subtype selectivity Preparation of dual inhibitors of phosphodiesterase-4 and serotonin reuptake

Specifications

Sinónimos

(2-(1, 3-Dioxolan-2-yl)ethyl)triphenylphosphoniumbromide | 2-(1, 3-Dioxolan-2-yl)ethyltriphenylphosphonium bromide, 97% | ZCJKBPSRKLHANV-UHFFFAOYSA-M | [2-(1, 3-dioxolan-2-yl)ethyl] triphenylphosphonium bromide | MFCD00075119 | Phosphonium, (2-(1, 3-dioxolan-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761038
• Sonrisas canónicas: C1COC(O1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium;bromide
• InChIKey: ZCJKBPSRKLHANV-UHFFFAOYSA-M
• INCHI: 1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1
• Isómeros SMILES: C1COC(O1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• WGK Alemania: 2
• Peso molecular: 443.32
• Beilstein: 5209370
• Reaxy-Rn: 5209374
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5209374&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-dioxolanes Oxacyclic compounds Acetals Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Meta-dioxolane - 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: Soluble in Methanol
• Sensibilidad: air sensitive
• Punto de fusión (°C): 155°C(lit.)
• Peso molecular: 443.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 442.07 Da
• Monoisotopic Mass: 442.07 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 357.000
• 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