Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)-

Base Information

Chemical Name:Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)-
CAS No.:61628-76-0
Molecular Formula:C11H13F3
Molecular Weight:202.219
Hs Code.:
DSSTox Substance ID:DTXSID50484634

Synonyms:Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)-;61628-76-0;SCHEMBL435755;DTXSID50484634;DFRCPNBFPJBKBA-UHFFFAOYSA-N

Suppliers and Price of Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)-

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:202.09693490
Heavy Atom Count:14
Complexity:166

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)-

There total 7 articles about Benzene, 1-(1-methylpropyl)-4-(trifluoromethyl)- 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: 58.0%

: 455-13-0
4-Iodobenzotrifluoride

: sec-butylzinc(II) bromide

: 583-48-2
3,4-dimethylhexane

: 61628-76-0
1-sec-butyl-4-(trifluoromethyl)benzene

Guidance literature:: With [2,2]bipyridinyl; bis(2,2'-bipyridine)dichloronickel(II); In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;
DOI:10.1002/chem.200901913

Reference yield:

: 10015-16-4
2-(4-(trifluoromethyl)phenyl)-2-butanol

: 61628-76-0
1-sec-butyl-4-(trifluoromethyl)benzene

Guidance literature:: With (3,3-dimethyl-propyl)-phenyl-silane; boron trifluoride; In dichloromethane; at 0 ℃;
DOI:10.1016/S0040-4039(01)85498-8

Reference yield:

: 709-63-7
1-(4-trifluoromethylphenyl)ethanone

: 61628-76-0
1-sec-butyl-4-(trifluoromethyl)benzene

Guidance literature:: Multi-step reaction with 4 steps

1: NH₄OAc, AcOH / benzene / Heating

2: (S)-2-(4-methoxy-phenyl)-butylmagnesium chloride / diethyl ether / 18 h / Ambient temperature

3: (i) KOH, H₂O, (ii) (heating), (iii) LiAlH₄, Et₂O

4: (i) TsCl, Py, (ii) LiAlH₄, Et₂O

With (S)-2-(4-methoxy-phenyl)-butylmagnesium chloride; ammonium acetate; acetic acid; In diethyl ether; benzene;
DOI:10.1016/S0022-328X(00)87330-1