Allylbenzene

CAS# 300-57-2

Allylbenzene 2D chemical structure

2D Structure

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Chemical Properties of Allylbenzene

Cas No. 300-57-2 SDF File under preparation.
PubChem ID 9309.0 Appearance Liquid
Formula C9H10 M.Wt 118.2
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name prop-2-enylbenzene
SMILES C=CCC1=CC=CC=C1
Standard InChIKey HJWLCRVIBGQPNF-UHFFFAOYSA-N
Standard InChI InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Quality Control of Allylbenzene

3D structure

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Allylbenzene

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Allylbenzene Dilution Calculator

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Allylbenzene Molarity Calculator

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Preparing Stock Solutions of Allylbenzene

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 8.4602 mL 42.3012 mL 84.6024 mL 169.2047 mL 211.5059 mL
5 mM 1.692 mL 8.4602 mL 16.9205 mL 33.8409 mL 42.3012 mL
10 mM 0.846 mL 4.2301 mL 8.4602 mL 16.9205 mL 21.1506 mL
50 mM 0.1692 mL 0.846 mL 1.692 mL 3.3841 mL 4.2301 mL
100 mM 0.0846 mL 0.423 mL 0.846 mL 1.692 mL 2.1151 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.
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References on Allylbenzene

Synergistic Silylium-Ion and Palladium Catalysis Enables Migratory Alkene Silylation With Allylsilanes by Formal C-H/C-Si Metathesis.[Pubmed:42731083]

Angew Chem Int Ed Engl. 2026 Sep 12:e5617321.

A conceptually distinct approach to the Heck-type silylation of terminal alkenes to yield allylsilanes under synergistic silylium-ion and palladium catalysis is reported. The combination of an electrophilic silylium carborate, such as [Me(3)Si(HCB(11)H(5)Br(6))], and the nucleophilic phosphine-coordinated palladium(0) complex (o-Tol(3)P)(2)Pd, leads to the formation of the cationic silylpalladium adduct [(o-Tol(3)P)(2)Pd-SiMe(3)](+), which catalyzes the silylation of Allylbenzene derivatives using an allylsilane as the stoichiometric silicon electrophile. Mechanistic studies including DFT calculations support a mechanism involving regioselective stepwise ionic addition of the silylpalladium cation across the double bond followed by beta-hydride elimination to form a cationic palladium hydride. Exploiting the Bronsted acidity of this intermediate facilitates the regeneration of the active silylpalladium complex by productive proton-into-silylium ion interconversion through deallylative protolysis (protodesilylation) of the allylsilane reagent, thereby maintaining the catalytic turnover. Hence, there is no need for an exogeneous base, whereas the conventional silyl-Heck reaction requires the addition of (over)stoichiometric amounts of a base to trap the formed acid (HX) waste. Moreover, the established silyl-Heck reaction relies on the oxidative addition of the silicon-halogen bond of a halosilane electrophile as the critical step, while this synergistic process makes use of an allylsilane as the coupling partner, releasing propene as the sole by-product.

Product Information

Allylbenzene (CAS 300-57-2) is a natural product offered by BioCrick for research applications. Customers can buy or order Allylbenzene from BioCrick, a supplier and manufacturer of research chemicals, with product specifications, purity, packaging, and pricing information available upon request.

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