Isopropyltriphenylphosphonium Iodide - ≥98%(HPLC) , CAS No.24470-78-8

CAS: 24470-78-8 Cat. No.: I157477 Molecular Weight: 432.29 Beilstein Registry Number: 16761 EC Number: 246-281-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

EINECS 246-281-5 | isopropyl(triphenyl)phosphonium iodide | AXJIEBIICMMLEY-UHFFFAOYSA-M | C21H22IP | triphenyl(propan-2-yl)phosphanium iodide | UNII-JY7N4HF6BS | F10036 | I0552 | MFCD00031595 | (1-methylethyl)(triphenyl)phosphonium iodide | isopropyl trip

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Reactant for: Total synthesis of heliananes Preparation of highly substituted benzene derivatives Synthesis of curcuphenol and elvirol analogs via a retro-aldol reaction as fungicidal agents 4-substituted methoxylbenzoyl-aryl-thiazoles analogues as potent and orally bioavailable anticancer agents Wittig reaction.

Specifications

Synonyms

EINECS 246-281-5 | isopropyl(triphenyl)phosphonium iodide | AXJIEBIICMMLEY-UHFFFAOYSA-M | C21H22IP | triphenyl(propan-2-yl)phosphanium iodide | UNII-JY7N4HF6BS | F10036 | I0552 | MFCD00031595 | (1-methylethyl)(triphenyl)phosphonium iodide | isopropyl trip

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488192187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192187
• Canonical Smiles: CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
• IUPAC Name: triphenyl(propan-2-yl)phosphanium;iodide
• InChIKey: HHBXWXJLQYJJBW-UHFFFAOYSA-M
• INCHI: 1S/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
• WGK Germany: 3
• Alternate CAS: 47180-35-8
• Molecular Weight: 432.29
• Beilstein: 16761
• Reaxy-Rn: 3599629

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in methanol, very faint turbidity.
• Sensitivity: Hygroscopic ；light sensitive
• Melt Point(°C): 196.0 to 200.0 °C
• Molecular Weight: 432.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 432.05 Da
• Monoisotopic Mass: 432.05 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 271.000
• 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

References

1. Haixia Cui, Yurou Yan, Zhe Feng, Yongkang Zhu, Yuhui Feng, Shujuan Liu, Qiang Zhao.  (2024)  Rod-Like Microcrystal Scintillators Based on Organic–Inorganic Hybrid Copper Halides for X-Ray Imaging.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202401321]