Bromuro de etoxicarbonilmetil(trifenil)fosfonio - ≥98% , CAS No.1530-45-6

CAS: 1530-45-6 Cat. No.: E107839 Peso molecular: 429.29 Beilstein Registry Number: 3581273 Número EC: 216-230-1

GRADE & PURITY ≥98%

Synonyms

(2-Ethoxy-2-oxoethyl) triphenylphosphonium bromide | DTXSID40934653 | Tricapronile | AKOS002534030 | GC10175 | (CARBOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE ETHYL ESTER | (Ethoxycarbonylmethyl)triphenylphosphonium bromide | Ethoxycarbonylmethyl(triphenyl)ph

Storage

Room temperature

Shipped In

Normal

Descripción general

aplicación：

Reactivo para:Reacciones de olefinación de Wittig para síntesis de derivados de ácido tetrámico；Síntesis de precursores para ciclización de Bergman；Preparación de agonistas PPAR derivados de antagonistas LXR relacionados con talidomida；Síntesis de benzoxaboroles con actividad antipalúdica；

Inhibidores de cisteína proteasa basados en aceptor Michael；Estudios mecanísticos de la proteína IspH reductasa

Specifications

Sinónimos

(2-Ethoxy-2-oxoethyl) triphenylphosphonium bromide | DTXSID40934653 | Tricapronile | AKOS002534030 | GC10175 | (CARBOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE ETHYL ESTER | (Ethoxycarbonylmethyl)triphenylphosphonium bromide | Ethoxycarbonylmethyl(triphenyl)ph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754727
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754727
• Sonrisas canónicas: CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide
• InChIKey: VJVZPTPOYCJFNI-UHFFFAOYSA-M
• INCHI: 1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
• Isómeros SMILES: CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• WGK Alemania: 3
• RTECS: TA2299500
• Peso molecular: 429.29
• Beilstein: 3581273
• Reaxy-Rn: 3581273
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3581273&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: Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Organooxygen compound - Carbonyl group - 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

• Solubilidad: It is soluble in water.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 145-150°C
• Peso molecular: 429.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 428.054 Da
• Monoisotopic Mass: 428.054 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 359.000
• 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. Zhiyang Ju, Wenyan Zhao, Wenying Jiang, Chuanjin Tian, Yumin Liu, Chang-an Wang, Zhipeng Xie, Jionghua Wu.  (2025)  Synergistic ECM-TTPBr/PCBA Dual-Molecule Buried-Interface Passivation Enables Highly Efficient Planar Carbon-Based HTL-Free Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:41157885] [10.1021/acsami.5c16155]