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54314-85-1 Structure

54314-85-1 Structure
IdentificationBack Directory
[Name]

(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE
[CAS]

54314-85-1
[Synonyms]

3-benzyloxypropyl(triphenyl)phosphonium
triphenyl(3-phenylmethoxypropyl)phosphanium
(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE
(3-Benzyloxypropyl)triphenylphosphonium bromide 98%
triphenyl(3-phenylmethoxypropyl)phosphanium,bromide
(3-Benzyloxypropyl)triphenylphosphonium bromide, 97+% white to off-white powder
[Molecular Formula]

C28H28BrOP
[MDL Number]

MFCD00191781
[MOL File]

54314-85-1.mol
[Molecular Weight]

491.4
Chemical PropertiesBack Directory
[Melting point ]

153-154 °C(lit.)
[storage temp. ]

Store at room temperature
[form ]

Powder
[color ]

White to off-white
[InChI]

InChI=1S/C28H28OP.BrH/c1-5-14-25(15-6-1)24-29-22-13-23-30(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28;/h1-12,14-21H,13,22-24H2;1H/q+1;/p-1
[InChIKey]

DWYCJWXMZGVGJV-UHFFFAOYSA-M
[SMILES]

[P+](CCCOCC1=CC=CC=C1)(C1=CC=CC=C1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2931599090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

(3-Benzyloxypropyl)triphenylphosphonium Bromide is a reagent used in the preparation of antitumor and Her2 degradation activity of geldanamycin and radicicol macrocyclic chimeras.
[Uses]

Reactant for preparation of:
  • Spirocyclohexadienones via Pd-catalyzed intramolecular ipso-Friedel-Crafts allylic alkylation
  • Inhibitors of heat shock protein (Hsp90) as antitumor agents
  • Carpanone-like molecules via an oxidative coupling/Diels-Alder cycloaddition sequence
[reaction suitability]

reaction type: C-C Bond Formation
Spectrum DetailBack Directory
[Spectrum Detail]

(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE(54314-85-1)1HNMR
(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE(54314-85-1)IR
(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE(54314-85-1)Raman
(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE(54314-85-1)FT-IR
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