(1,1,1-Trifluoro-3-methylbut-2-en-2-yl)benzene

Base Information

• Chemical Name: (1,1,1-Trifluoro-3-methylbut-2-en-2-yl)benzene
• CAS No.: 109662-31-9
• Molecular Formula: C11H11F3
• Molecular Weight: 200.204
• DSSTox Substance ID: DTXSID70548025
• Mol file: 109662-31-9.mol

Synonyms:109662-31-9;(1,1,1-Trifluoro-3-methylbut-2-en-2-yl)benzene;DTXSID70548025

Chemical Property of (1,1,1-Trifluoro-3-methylbut-2-en-2-yl)benzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 200.08128484
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1,1,1-Trifluoro-3-methylbut-2-en-2-yl)benzene

There total 1 articles about (1,1,1-Trifluoro-3-methylbut-2-en-2-yl)benzene 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: 69.0%

methylmagnesium bromide (75-16-1) + methyllithium (917-54-4) + 1,1-dichloro-2-trifluoromethyl-4-phenylbutan-2-ol (239074-65-8) → 1,1,1-trifluoro-3-methyl-2-phenylbut-2-en (109662-31-9)

Guidance literature:

methylmagnesium bromide; 1,1-dichloro-2-trifluoromethyl-4-phenylbutan-2-ol; In tetrahydrofuran; at -78 ℃; for 1h;

methyllithium; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

DOI:10.1016/j.tet.2003.09.098

Reference yield: 40.0%

1,1,1-trifluoro-3-methyl-2-phenylbut-2-en (109662-31-9) → (1,1,1-trifluoro-3-methylbut-3-en-2-yl)benzene

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

upstream raw materials:

methylmagnesium bromide

methyllithium

1,1-dichloro-2-trifluoromethyl-4-phenylbutan-2-ol