(3,3,3-Trifluoro-2-methylpropyl)benzene

Base Information

• Chemical Name: (3,3,3-Trifluoro-2-methylpropyl)benzene
• CAS No.: 943-52-2
• Molecular Formula: C10H11F3
• Molecular Weight: 188.193
• DSSTox Substance ID: DTXSID90528041
• Mol file: 943-52-2.mol

Synonyms:(3,3,3-Trifluoro-2-methylpropyl)benzene;943-52-2;SCHEMBL9947015;DTXSID90528041;VTJLJNDWCNWLJS-UHFFFAOYSA-N;AKOS033859210;EN300-252608;Z1416168820

Chemical Property of (3,3,3-Trifluoro-2-methylpropyl)benzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.08128484
• Heavy Atom Count: 13
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (3,3,3-Trifluoro-2-methylpropyl)benzene

There total 7 articles about (3,3,3-Trifluoro-2-methylpropyl)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: 82.0%

1-phenylpropene (637-50-3) + iodotrifluoromethane (2314-97-8,263005-66-9) → (3,3,3-trifluoro-2-methylpropyl)benzene (943-52-2)

Guidance literature:

With 4-sulfanylphenol; In ethanol; 1,2-dichloro-ethane; at 23 ℃; for 18h; Schlenk technique; Microwave irradiation;

DOI:10.1002/anie.201608297

Reference yield: 28.0%

Togni's reagent (887144-97-0) + 2-methyl-3-phenylpropanoic acid (1009-67-2) → (3,3,3-trifluoro-2-methylpropyl)benzene (943-52-2)

Guidance literature:

With 3,4,7,8-Tetramethyl-o-phenanthrolin; N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; [Ir(3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl)₂(4,4'-bis(trifluoromethyl)bipyridine)]PF₆; water; copper(l) cyanide; In ethyl acetate; at 20 ℃; for 12h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/jacs.8b02650

Reference yield:

1-phenylpropene (637-50-3) + Bromotrifluoromethane (75-63-8) → C10H11F3 + (3,3,3-trifluoro-2-methylpropyl)benzene (943-52-2)

Guidance literature:

With benzoic acid; zinc; In acetonitrile; at 20 ℃; for 24h; Overall yield = 63 percent; Overall yield = 119 mg; Sealed tube;

upstream raw materials:

2-methyl-3-phenylpropanoic acid

1-phenylpropene

iodotrifluoromethane

Togni's reagent

Downstream raw materials:

trans-3,3-Difluor-2-methyl-1-phenyl-propen

cis-3,3-Difluor-2-methyl-1-phenyl-propen