2-(4-(Trifluoromethyl)phenyl)propan-2-ol

Base Information

• Chemical Name: 2-(4-(Trifluoromethyl)phenyl)propan-2-ol
• CAS No.: 2252-62-2
• Molecular Formula: C10H11 F3 O
• Molecular Weight: 204.192
• Hs Code.: 2906299090
• European Community (EC) Number: 659-830-2
• DSSTox Substance ID: DTXSID00380591
• Nikkaji Number: J2.091.170K
• Wikidata: Q82170887
• Mol file: 2252-62-2.mol

Synonyms:2252-62-2;2-(4-(Trifluoromethyl)phenyl)propan-2-ol;2-[4-(trifluoromethyl)phenyl]propan-2-ol;4-(trifluoromethyl)phenyl dimethyl carbinol;[4-(trifluoromethyl)phenyl]dimethylcarbinol;2-(4-(Trifluoromethyl)phenyl)-2-propanol;2-[4-(trifluoromethyl)phenyl]-2-propanol;4-(2-hydroxyprop-2-yl)benzotrifluoride;SCHEMBL1536352;DTXSID00380591;7,7,7-Trifluoro-p-cymen-8-ol;MFCD00096200;AKOS009158450;FS-1209;4-(trifluoromethyl)phenyl dimethylcarbinol;2-(4-(trifluoromethyl)-phenyl)-2-propanol;CS-0077617;FT-0634169;a,a-Dimethyl-p-(trifluoromethyl)benzyl alcohol;EN300-1937605;A816242;4-trifluoromethyl-alpha,alpha-dimethylbenzyl alcohol;alpha,alpha-Dimethyl-4-(trifluoromethyl)benzenemethanol

Chemical Property of 2-(4-(Trifluoromethyl)phenyl)propan-2-ol

Chemical Property:

• PSA: 20.23000
• LogP: 2.93280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.07619946
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

2-[4-(Trifluoromethyl)phenyl]propan-2-ol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-(Trifluoromethyl)phenyl)propan-2-ol

There total 15 articles about 2-(4-(Trifluoromethyl)phenyl)propan-2-ol 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: 97.0%

ethyl 4-(trifluoromethyl)benzoate (583-02-8) + methyl iodide (74-88-4) → 2-(4-(trifluoromethyl)phenyl)propan-2-ol (2252-62-2)

Guidance literature:

With magnesium; In diethyl ether; for 24h; Heating;

DOI:10.1039/a702906c

Reference yield: 41.0%

p-trifluoromethylphenyl bromide (402-43-7) + acetone (67-64-1) → 2-(4-(trifluoromethyl)phenyl)propan-2-ol (2252-62-2)

Guidance literature:

p-trifluoromethylphenyl bromide; With magnesium; In tetrahydrofuran; at 0 ℃; for 3h; Reflux;

acetone; In tetrahydrofuran; at 0 - 40 ℃; for 12h;

With ammonium chloride; In diethyl ether; water;

DOI:10.1016/j.tet.2017.11.009

Reference yield:

4-isopropyl-1-(trifluoromethyl)benzene (32445-99-1) → 1-(4-trifluoromethylphenyl)ethanone (709-63-7) + 2-(4-(trifluoromethyl)phenyl)propan-2-ol (2252-62-2)

Guidance literature:

4-isopropyl-1-(trifluoromethyl)benzene; With triethylsilane; [Bu₄N]4W₁₀O₃₂; oxygen; In acetonitrile; at 5 - 10 ℃; for 4h; Irradiation;

With triphenylphosphine; Further stages.;

DOI:10.1016/j.tetlet.2004.08.096

upstream raw materials:

methyl 4-(trifluoromethyl)benzoate

1-(4-trifluoromethylphenyl)ethanone

methylmagnesium bromide

2-(p-Trifluoromethylphenyl)-2-methyl-propan-1-ol

Downstream raw materials:

1-(α-chloro-isopropyl)-4-trifluoromethyl-benzene

4-trifluoromethyl-α-methylstyrene

2-(4'-Trifluoromethyl)phenyl-2-propyl cation

2-bromo-2-(4'-(trifluoromethyl)phenyl)propane

Refernces

• 1、 Matsumoto, Shoji,Naito, Masafumi,Oseki, Takehisa,Akazome, Motohiro,Otani, Yasuhiko. "Selective reaction of benzyl alcohols with HI gas: Iodination, reduction, and indane ring formations". . p. 7254 - 7259. Retrieved 2017/11/24.
• 2、 Sherrill, William M.,Kim, Ryan,Rubin, Michael. "Improved preparative route toward 3-arylcyclopropenes". . p. 8610 - 8617. Retrieved 2008/12/21.