3-(2,6-Dimethylphenyl)-1-propene

Base Information

• Chemical Name: 3-(2,6-Dimethylphenyl)-1-propene
• CAS No.: 1587-05-9
• Molecular Formula: C11H14
• Molecular Weight: 146.232
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10568803
• Nikkaji Number: J1.866.984F
• Wikidata: Q82455173
• Mol file: 1587-05-9.mol

Synonyms:3-(2,6-DIMETHYLPHENYL)-1-PROPENE;1587-05-9;1,3-dimethyl-2-prop-2-enylbenzene;2-allyl-1,3-dimethylbenzene;1,3-Dimethyl-2-(prop-2-en-1-yl)benzene;MFCD09801219;DTXSID10568803;BAA58705;AKOS006329265;2,6-dimethyl-1-(prop-2-en-1-yl)benzene;CS-0267241;Benzene, 1,3-dimethyl-2-(2-propen-1-yl)-;EN300-698387

Chemical Property of 3-(2,6-Dimethylphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.287mmHg at 25°C
• Boiling Point: 209.9oC at 760 mmHg
• Flash Point: 73.6oC
• PSA: 0.00000
• Density: 0.878g/cm3
• LogP: 3.03190
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

3-(2,6-Dimethylphenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)CC=C

Technology Process of 3-(2,6-Dimethylphenyl)-1-propene

There total 5 articles about 3-(2,6-Dimethylphenyl)-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: 99.0%

2,6-dimethylbenzene boronic acid (100379-00-8) + allyl bromide (106-95-6) → 2-allyl-1,3-dimethylbenzene (1587-05-9)

Guidance literature:

With 2C₂H₃O₂^(1-)*Pd⁽²⁺⁾*3Na⁽¹⁺⁾*C₁₈H₁₂O₉PS₃^(3-); potassium tert-butylate; glycerol; at 100 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300753

Reference yield: 92.0%

2-Bromo-m-xylene (576-22-7) + allyl bromide (106-95-6) → 2-allyl-1,3-dimethylbenzene (1587-05-9)

Guidance literature:

2-Bromo-m-xylene; With magnesium; In diethyl ether; for 1h; Inert atmosphere; Schlenk technique; Reflux;

allyl bromide; In diethyl ether; for 15h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1002/chem.202003223

Reference yield: 62.0%

allyltributylstanane (24850-33-7) + 2,6-dimethylphenyl trifluoromethanesulphonate (86364-02-5) → 2-allyl-1,3-dimethylbenzene (1587-05-9)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; lithium chloride; In N,N-dimethyl-formamide; at 120 ℃; for 6h;

DOI:10.1021/jo00028a051

upstream raw materials:

2-Bromo-m-xylene

allyl bromide

allyltributylstanane

2,6-dimethylphenyl trifluoromethanesulphonate

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