2-Methyl-3-[(4-trifluoromethyl)phenyl]-1-propene

Base Information

• Chemical Name: 2-Methyl-3-[(4-trifluoromethyl)phenyl]-1-propene
• CAS No.: 53482-96-5
• Molecular Formula: C11H11F3
• Molecular Weight: 200.204
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50453840
• Nikkaji Number: J2.290.567H
• Wikidata: Q82275103
• Mol file: 53482-96-5.mol

Synonyms:2-Methyl-3-[(4-trifluoromethyl)phenyl]-1-propene;53482-96-5;1-(2-methylprop-2-enyl)-4-(trifluoromethyl)benzene;MFCD09801121;SCHEMBL21610452;DTXSID50453840;XLNUVGVLJASRLO-UHFFFAOYSA-N;AKOS016016859;FS-6108;1-(2-Methyl-2-propenyl)-4-(trifluoromethyl)benzene;1-(2-Methylprop-2-en-1-yl)-4-(trifluoromethyl)benzene

Chemical Property of 2-Methyl-3-[(4-trifluoromethyl)phenyl]-1-propene

Chemical Property:

• Vapor Pressure: 0.522mmHg at 25°C
• Boiling Point: 197.847oC at 760 mmHg
• Flash Point: 64.02oC
• PSA: 0.00000
• Density: 1.09g/cm3
• LogP: 3.82400
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.08128484
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-3-[(4-trifluoromethyl)phenyl]-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-3-[(4-trifluoromethyl)phenyl]-1-propene

There total 4 articles about 2-Methyl-3-[(4-trifluoromethyl)phenyl]-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: 88.0%

1-trifluoromethyl-4-(2-methyl-1-propenyl)benzene (115665-60-6) → 3-(4-trifluoromethylphenyl)-2-methyl-1-propene (53482-96-5)

Guidance literature:

With dibromo(dimethylglyoxime)(dimethylglyoximato)cobalt(III); sodium decatungstate; In acetone; at 20 ℃; for 18h; regiospecific reaction; Irradiation; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.1c12043

Reference yield: 78.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 3-(4-trifluoromethylphenyl)-2-methyl-1-propene (53482-96-5)

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 140 ℃; for 1.5h; Microwave irradiation;

DOI:10.3390/molecules201219886

Reference yield: 64.0%

p-trifluoromethylphenyl bromide (402-43-7) + 2,5-dimethyl-3-(1-methylethyl)-5-hexen-3-ol (107035-97-2) → 3-(4-trifluoromethylphenyl)-2-methyl-1-propene (53482-96-5)

Guidance literature:

With palladium diacetate; caesium carbonate; Tri(p-tolyl)phosphine; In toluene; for 8h; Heating;

DOI:10.1021/ja058055u

upstream raw materials:

p-trifluoromethylphenyl bromide

2,5-dimethyl-3-(1-methylethyl)-5-hexen-3-ol

4-trifluoromethylphenylboronic acid

3-hydroxy-2-methyl-1-propene

Downstream raw materials:

N-[1,1-dimethyl-2-(4-trifluoromethyl-phenyl)-ethyl]-formamide

7-trifluoromethyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

3-(p-(trifluoromethyl)phenyl)-2-methyl-2-methoxypropylmercuric chloride