| Identification | Back Directory | [Name]
3-Methoxybenzyltriphenylphosphonium chloride | [CAS]
18880-05-2 | [Synonyms]
3-METHOXYBENZYLTRIPHENYLPHOSPHONIUM CHLORIDE
(3-Methoxybenzyl)triphenylphosphoniumChloride>
3-Methoxybenzyltriphenylphosphonium chloride, 98 %
[(3-Methoxyphenyl)Methyl]triphenylphosphaniuM chloride
[(3-Methoxyphenyl)methyl]triphenylphosphonium chloride
Phosphonium, [(3-methoxyphenyl)methyl]triphenyl-, chloride (1:1) | [Molecular Formula]
C26H24ClOP | [MDL Number]
MFCD09836189 | [MOL File]
18880-05-2.mol | [Molecular Weight]
418.89 |
| Hazard Information | Back Directory | [Uses]
(3-Methoxybenzyl)(triphenyl)phosphonium Chloride is an intermediate used in the synthesis of 2-Hydroxychrysene (H905340), which is a hydroxylated metabolite of Chrysene (C428000). Binding activity of 2-Hydroxychrysene to estrogenic receptor induces toxicity. | [Synthesis]
Example 2: Synthesis of (3-methoxybenzyl)triphenylphosphonium chloride (Compound I, Scheme A, Intermediate)
3-Methoxybenzyl chloride (5 g, 32 mmol) and triphenylphosphonium (9.205 g, 33.93 mmol) were dissolved in acetonitrile (20 mL) and the reaction mixture was stirred under reflux conditions for 12 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting product was dissolved in a minimal amount of chloroform and subsequently precipitated by the addition of ether. The solid formed was collected by filtration to afford the target compound in 98.5% yield.
1H NMR (CDCl3): δ 3.53 (s, 3H, OCH3); 5.44 (d, 2H, J = -16Hz, CH2); 6.60-6.77 (m, 3H, Ar); 7.02 (t, 1H, J = 7.6 Hz); 7.11-7.21 (m, 15H, PPh3) ppm.
Mass spectrum (m/z): [M+ -Cl] 383 (16.1%).
Elemental analysis results are as expected. | [References]
[1] Journal of Medicinal Chemistry, 2006, vol. 49, # 22, p. 6607 - 6613
[2] Patent: US2009/93493, 2009, A1. Location in patent: Page/Page column 10
[3] Polymer, 2015, vol. 64, p. 202 - 209
[4] Archiv der Pharmazie, 2001, vol. 334, # 4, p. 125 - 137
[5] Archiv der Pharmazie, 1995, vol. 328, # 7-8, p. 595 - 603 |
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