alpha,3-Dimethylstyrene

Base Information

• Chemical Name: alpha,3-Dimethylstyrene
• CAS No.: 1124-20-5
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• Hs Code.: 2902909090
• European Community (EC) Number: 214-394-9
• UNII: 3EY8GVM0DX
• DSSTox Substance ID: DTXSID30150027
• Nikkaji Number: J91.271I
• Wikidata: Q27257133
• Mol file: 1124-20-5.mol

Synonyms:1124-20-5;alpha,3-Dimethylstyrene;m-Isopropenyltoluene;m,alpha-Dimethylstyrene;1-methyl-3-(prop-1-en-2-yl)benzene;m-Cymenene;2-M-Tolylpropene;Benzene, 1-methyl-3-(1-methylethenyl)-;m-Methylisopropenylbenzene;1-methyl-3-prop-1-en-2-ylbenzene;1-ISOPROPENYL-3-METHYLBENZENE;1-Methyl-3-(1-methylethenyl)benzene;UNII-3EY8GVM0DX;3EY8GVM0DX;Styrene, m,.alpha.-dimethyl-;EINECS 214-394-9;MFCD08060972;1-Isopropenyl-3-Methyl-Benzene;m,|A-dimethylstyrene;3,alpha-Dimethylstyrene;alpha ,3-Dimethylstyrene;2-(3-Methylphenyl)propene;1-methyl-3.alpha.-methylstyrene;.ALPHA.,M-DIMETHYLSTYRENE;DTXSID30150027;M,.ALPHA.-DIMETHYLSTYRENE;.ALPHA.,3-DIMETHYLSTYRENE;BAA12420;AC1343;.ALPHA.-METHYL-M-METHYLSTYRENE;AKOS006222934;AB91884;CS-12811;SY225337;1-Isopropenyl-3-methylbenzene, AldrichCPR;CS-0314331;A925636;Q27257133

Chemical Property of alpha,3-Dimethylstyrene

Chemical Property:

• Vapor Pressure: 0.911mmHg at 25°C
• Melting Point: -59.27°C (estimate)
• Refractive Index: 1.509
• Boiling Point: 186.4 °C at 760 mmHg
• Flash Point: 58.2 °C
• PSA: 0.00000
• Density: 0.872 g/cm³
• LogP: 3.02810
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropenyl-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha,3-Dimethylstyrene

There total 25 articles about alpha,3-Dimethylstyrene 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: 93.0%

trimethylaluminum (75-24-1) + 3-Methylbenzoyl chloride (1711-06-4) → 2-(3-methylphenyl)propene (1124-20-5)

Guidance literature:

With bis-diphenylphosphinomethane; In toluene; at 120 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01059

Reference yield: 86.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 3-Methylacetophenone (585-74-0) → 2-(3-methylphenyl)propene (1124-20-5)

Guidance literature:

Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1h; Inert atmosphere;

3-Methylacetophenone; In tetrahydrofuran; hexane; at 0 - 23 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.joc.5b01962

Reference yield: 70.0%

8-hydroxy-m-cymene (5208-37-7) → 2-(3-methylphenyl)propene (1124-20-5)

Guidance literature:

With sulfuric acid; Heating;

upstream raw materials:

methyl magnesium iodide

1-methoxycarbonyl-3-methylbenzene

8-hydroxy-m-cymene

methanol

Downstream raw materials:

1-(2,5-Dimethyl-phenyl)-3-(1-methyl-1-m-tolyl-ethyl)-urea

1-(2,3-Dimethyl-phenyl)-3-(1-methyl-1-m-tolyl-ethyl)-urea

1-(3,4-Dimethyl-phenyl)-3-(1-methyl-1-m-tolyl-ethyl)-urea

1-methyl-1-(3-methylphenyl)ethylium