3-(2,4,5-Trimethylphenyl)-1-propene

Base Information

• Chemical Name: 3-(2,4,5-Trimethylphenyl)-1-propene
• CAS No.: 58474-27-4
• Molecular Formula: C12H16
• Molecular Weight: 160.26
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10505910
• Wikidata: Q82361345
• Mol file: 58474-27-4.mol

Synonyms:3-(2,4,5-TRIMETHYLPHENYL)-1-PROPENE;58474-27-4;1,2,4-trimethyl-5-prop-2-enylbenzene;MFCD07775140;1,2,4-Trimethyl-5-(prop-2-en-1-yl)benzene;DTXSID10505910;1-Allyl-2,4,5-trimethylbenzene;AKOS006285144

Chemical Property of 3-(2,4,5-Trimethylphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.0932mmHg at 25°C
• Boiling Point: 231.7°C at 760 mmHg
• Flash Point: 87.9°C
• PSA: 0.00000
• Density: 0.877g/cm³
• LogP: 3.34030
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

3-(2,4,5-Trimethylphenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)CC=C)C

Technology Process of 3-(2,4,5-Trimethylphenyl)-1-propene

There total 4 articles about 3-(2,4,5-Trimethylphenyl)-1-propene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

2,5-dimethylbenzyl chloride (824-45-3) + allyltrimethoxysilane (2551-83-9) → Allyl-2,4,5-trimethyl-benzol (58474-27-4)

Guidance literature:

2,5-dimethylbenzyl chloride; allyltrimethoxysilane; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutyl ammonium fluoride; In tetrahydrofuran; dichloromethane; at 20 ℃; for 18h; Inert atmosphere;

With toluene-4-sulfonic acid; In tetrahydrofuran; dichloromethane; at 20 ℃; for 0.166667h; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.7b00678

Reference yield: 42.0%

5-ethynyl-5-methoxy-3,3-dimethylocta-1,7-diene → 3-Allyl-2,4,5-trimethylbenzene (1133961-72-4) + C12H18O (1133961-71-3) + Allyl-2,4,5-trimethyl-benzol (58474-27-4)

Guidance literature:

With silver hexafluoroantimonate; (triphenylphosphine)gold(I) chloride; In dichloromethane; at 20 ℃; for 0.333333h; Inert atmosphere; Anhydrous conditions;

DOI:10.1016/j.jorganchem.2008.10.054

Reference yield: 22.0%

5-ethynyl-5-methoxy-3,3-dimethylocta-1,7-diene → 3-Allyl-2,4,5-trimethylbenzene (1133961-72-4) + C13H20O (1133961-70-2) + Allyl-2,4,5-trimethyl-benzol (58474-27-4) + (1aRS,3aSR,4aRS,5aRS,5bSR)-octahydro-3a-methoxy-2,2-dimethyl-3aH-dicyclopropa[a,g]pentalene

Guidance literature:

With silver hexafluoroantimonate; (triphenylphosphine)gold(I) chloride; In dichloromethane; at 20 ℃; for 0.333333h; Inert atmosphere; Anhydrous conditions;

DOI:10.1016/j.jorganchem.2008.10.054

upstream raw materials:

2,3,5-trimethyl-6-prop-2-en-1-ylphenol

2,5-dimethylbenzyl chloride

allyltrimethoxysilane

Downstream raw materials:

(2,4,5-trimethyl-phenyl)-acetic acid

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