Cas no 54486-05-4 ((4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide)

(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium bromide is a phosphonium salt widely used in organic synthesis, particularly in Wittig reactions for the formation of carbon-carbon double bonds. The methoxy and trimethyl substituents on the benzyl group enhance its stability and reactivity, making it a valuable reagent for selective olefination processes. Its well-defined structure ensures consistent performance in the synthesis of complex alkenes, while the bromide counterion facilitates solubility in polar organic solvents. This compound is particularly advantageous in sterically demanding transformations, offering high yields and minimal side products. Its utility extends to pharmaceutical and materials science applications where precise alkene formation is required.
(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide structure
54486-05-4 structure
Product Name:(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide
CAS No:54486-05-4
MF:C29H30BrOP
MW:505.425668239594
CID:1063275
PubChem ID:20143869
Update Time:2025-06-06

(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide Chemical and Physical Properties

Names and Identifiers

    • (4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide
    • Bromo(4-methoxy-2,3,6-trimethylbenzyl)triphenylphosphorane
    • SCHEMBL10457544
    • (4-Methoxy-2,3,6-trimethylbenzyl)triphenylphosphonium bromide
    • (4-methoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphanium;bromide
    • 4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide
    • 54486-05-4
    • DB-309995
    • Inchi： 1S/C29H30OP.BrH/c1-22-20-29(30-4)24(3)23(2)28(22)21-31(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;/h5-20H,21H2,1-4H3;1H/q+1;/p-1
    • InChI Key： IYZVCXOMXVTXGD-UHFFFAOYSA-M
    • SMILES： [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC1C(C)=CC(=C(C)C=1C)OC

Computed Properties

  • Exact Mass: 504.12200
  • Monoisotopic Mass: 504.12177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 483
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • Solubility: Chloroform, Dichloromethane, Ethanol, Methanol
  • Stability/Shelf Life: At 00C.
  • PSA: 22.82000
  • LogP: 6.96010

(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M271000-100mg
(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide
 54486-05-4
100mg
 $173.00 2023-05-18
TRC
M271000-1g
(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide
 54486-05-4
1g
 $1326.00 2023-05-18

(4-Methoxy-2,3,6-trimethylbenzyl)-triphenylphosphonium Bromide Production Method

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