ChemicalBook--->CAS DataBase List--->51044-13-4

51044-13-4

51044-13-4 Structure

51044-13-4 Structure
IdentificationMore
[Name]

(4-BROMOBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE
[CAS]

51044-13-4
[Synonyms]

(4-BROMOBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE
[(4-BROMOPHENYL)METHYL]TRIPHENYLPHOSPHONIUMBROMIDE
RARECHEM FH HF 0007
[Molecular Formula]

C25H21Br2P
[MDL Number]

MFCD00051922
[Molecular Weight]

512.22
[MOL File]

51044-13-4.mol
Chemical PropertiesBack Directory
[Appearance]

cream crystalline powder
[Melting point ]

270-273 °C
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

solid
[color ]

White to Almost white
[Sensitive ]

Hygroscopic
[BRN ]

4173386
[CAS DataBase Reference]

51044-13-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[HS Code ]

2931.90.6000
Hazard InformationBack Directory
[Chemical Properties]

cream crystalline powder
[Uses]

(4-Bromobenzyl)triphenylphosphonium Bromide is used in the preparation of potential precursors for single isomers of buckybowls and carbon nanotubes.
[Synthesis]

4-Bromobenzyl bromide

589-15-1

Triphenylphosphine

603-35-0

(4-BROMOBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE

51044-13-4

The reaction was carried out with 4-bromobenzyl bromide (50 g, 200 mmol, 1.0 eq.) and triphenylphosphine (57 g, 220 mmol, 1.1 eq.) in chloroform (400 mL, 0.5 M) at reflux for 4 hours. After completion of the reaction, the reaction solution was cooled to room temperature and ether (1.5 L) was added to precipitate the phosphonium salt. The crude product was dissolved in dichloromethane (300 mL) and precipitated by adding ether (1.5 L) again. It was filtered through a Brinell funnel and washed with ether (500 mL) to give (4-bromobenzyl)triphenylphosphonium bromide (44) as a white solid (123 g, quantitative yield).

[References]

[1] Patent: WO2005/97812, 2005, A1. Location in patent: Page/Page column 64
[2] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 8, p. 902 - 907
[3] Patent: KR2015/103967, 2015, A. Location in patent: Paragraph 0100
[4] Dyes and Pigments, 2019, vol. 162, p. 959 - 966
[5] Patent: US2008/81934, 2008, A1. Location in patent: Page/Page column 34
Spectrum DetailBack Directory
[Spectrum Detail]

(4-BROMOBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(51044-13-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(4-Bromobenzyl)triphenylphosphonium bromide, 97%(51044-13-4)
[Alfa Aesar]

(4-Bromobenzyl)triphenylphosphonium bromide, 98%(51044-13-4)
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