(4-Bromobenzyl)Triphenylphosphonium Bromide

Base Information

• Chemical Name: (4-Bromobenzyl)Triphenylphosphonium Bromide
• CAS No.: 51044-13-4
• Molecular Formula: C25H21Br2P
• Molecular Weight: 512.223
• Hs Code.: 2931900090
• European Community (EC) Number: 676-435-0
• DSSTox Substance ID: DTXSID80369263
• Mol file: 51044-13-4.mol

Synonyms:(4-Bromobenzyl)Triphenylphosphonium Bromide;51044-13-4;4-bromobenzyl triphenylphosphonium bromide;(4-bromophenyl)methyl-triphenylphosphanium;bromide;MFCD00051922;Phosphonium, [(4-bromophenyl)methyl]triphenyl-, bromide;(4-bromobenzyl)triphenylphosphoniumbromide;C25H21Br2P;SCHEMBL275340;DTXSID80369263;FQJYKXVQABPCRA-UHFFFAOYSA-M;AKOS016013627;SY101018;(4-bromobenzyl)triphenylphosphonium-bromide;(4-bromobenzyl)triphenyl-phosphonium bromide;B5241;CS-0040931;FT-0604747;(4-bromobenzyl)(triphenyl)phosphonium bromide;A871389;(4-Bromophenyl)methyl-triphenyl-phosphonium bromide;J-501370

Chemical Property of (4-Bromobenzyl)Triphenylphosphonium Bromide

Chemical Property:

• Appearance/Colour: cream crystalline powder
• Melting Point: 270-273 °C
• Refractive Index: ">
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 13.59000
• Density: g/cm³
• LogP: 2.94720
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Hygroscopic
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 511.97271
• Heavy Atom Count: 28
• Complexity: 378

Purity/Quality:

97% ^*data from raw suppliers

(4-Bromobenzyl)triphenylphosphonium Bromide >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Uses: (4-Bromobenzyl)triphenylphosphonium Bromide is used in the preparation of potential precursors for single isomers of buckybowls and carbon nanotubes.

Technology Process of (4-Bromobenzyl)Triphenylphosphonium Bromide

There total 10 articles about (4-Bromobenzyl)Triphenylphosphonium Bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-bromomethyl-4-bromobenzene (589-15-1) + triphenylphosphine (603-35-0) → 4-bromobenzyl triphenylphosphonium bromide (51044-13-4)

Guidance literature:

In chloroform; for 4h; Heating / reflux;

Reference yield: 97.6%

→ 4-bromobenzyl triphenylphosphonium bromide (51044-13-4)

Guidance literature:

Reference yield: 86.0%

4-bromobenzenemethanol (873-75-6) + triphenylphosphine (603-35-0) → 4-bromobenzyl triphenylphosphonium bromide (51044-13-4)

Guidance literature:

4-bromobenzenemethanol; With trimethylsilyl bromide; In 1,4-dioxane; at 80 ℃;

triphenylphosphine; In 1,4-dioxane; at 80 ℃;

DOI:10.1021/acs.joc.1c00733

upstream raw materials:

1-bromomethyl-4-bromobenzene

triphenylphosphine

para-bromotoluene

4-bromobenzenemethanol

Downstream raw materials:

4-(3-Ethyl-1-pentyl)benzoesaeure

4-(2-n-Propyl-1-penten-1-yl)brombenzol

4-(3-Ethyl-1-heptyl)benzoesaeure

4-(2-n-Butyl-1-hexen-1-yl)brombenzol