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54314-85-1 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] 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 Information	Back 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 Detail	Back 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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