2,2,2-Trifluoro-1-(p-tolyl)ethanol

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(p-tolyl)ethanol
• CAS No.: 446-65-1
• Molecular Formula: C9H9F3O
• Molecular Weight: 190.165
• Hs Code.: 2906290090
• NSC Number: 405748
• DSSTox Substance ID: DTXSID50324107
• Nikkaji Number: J978.888C
• Mol file: 446-65-1.mol

Synonyms:2,2,2-Trifluoro-1-(p-tolyl)ethanol;446-65-1;2,2,2-trifluoro-1-p-tolylethanol;2,2,2-trifluoro-1-(4-methylphenyl)ethanol;MFCD00233111;NSC405748;alpha-(Trifluoromethyl)-4-methylbenzyl Alcohol;SCHEMBL307896;DTXSID50324107;AKOS001287912;AKOS016845550;CS-W021468;DS-6944;NSC-405748;p-methyl-a-trifluoromethylbenzyl alcohol;SY114644;alpha-Trifluoromethyl-4-methylbenzyl alcohol;4-(2,2,2-trifluoro-1-hydroxyethyl)toluene;1-(4-methylphenyl)-2,2,2-trifluoro-ethanol;EN300-24370;2,2,2-trifluoro-1-(4-methylphenyl)ethan-1-ol;A872483;J-506747;Z188898086

Chemical Property of 2,2,2-Trifluoro-1-(p-tolyl)ethanol

Chemical Property:

• Vapor Pressure: 0.036mmHg at 25°C
• Boiling Point: 230.8°Cat760mmHg
• Flash Point: 102.5°C
• PSA: 20.23000
• Density: 1.241g/cm³
• LogP: 2.59070
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.06054939
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-Trifluoro-1-(p-tolyl)ethanol

There total 16 articles about 2,2,2-Trifluoro-1-(p-tolyl)ethanol 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: 99.0%

→ 2,2,2-trifluoro-1-(4-methylphenyl)ethanol (446-65-1)

Guidance literature:

Reference yield: 98.0%

4-methyl-benzaldehyde (104-87-0) + (trifluoromethyl)trimethylsilane (81290-20-2) → 2,2,2-trifluoro-1-(4-methylphenyl)ethanol (446-65-1)

Guidance literature:

4-methyl-benzaldehyde; (trifluoromethyl)trimethylsilane; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

With water; In N,N-dimethyl-formamide; for 4h; Acidic conditions;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 96.0%

sodium 2,2,2-trifluoroacetate (2923-18-4) + 4-methyl-benzaldehyde (104-87-0) → 2,2,2-trifluoro-1-(4-methylphenyl)ethanol (446-65-1)

Guidance literature:

sodium 2,2,2-trifluoroacetate; 4-methyl-benzaldehyde; With copper(l) iodide; In N,N-dimethyl-formamide; at 170 ℃; for 2h;

With hydrogenchloride; In N,N-dimethyl-formamide; at 170 ℃; for 4h;

DOI:10.1016/j.jfluchem.2005.04.012

upstream raw materials:

2,2,2-trifluoro-1-(p-tolyl)ethanone

Bromotrifluoromethane

4-methyl-benzaldehyde

trifluoromethan

Downstream raw materials:

di-p-methyl-α-trifluoromethylbenzyl ether

1-chloro-1-(4-methylphenyl)-2,2,2-trifluoroethane

bis(2,2,2-trifluoroethyl)(p-methyl-α-trifluoromethylbenzyl) phosphate

2,2,2-trifluoro-1-(4'-methylphenyl)ethyl isobutyrate

Refernces

• 1、 Berkowitz, David B.,Kudalkar, Gaurav P.,Lee, Joshua D.,Tiwari, Virendra K.. "A Hammett Study of Clostridium acetobutylicum Alcohol Dehydrogenase (CaADH): An Enzyme with Remarkable Substrate Promiscuity and Utility for Organic Synthesis". . p. 237 - 247. Retrieved 2020/02/18.
• 2、 Kani, Ryunosuke,Inuzuka, Toshiyasu,Kubota, Yasuhiro,Funabiki, Kazumasa. "One-Pot Successive Turbo Grignard Reactions for the Facile Synthesis of α-Aryl-α-Trifluoromethyl Alcohols". supporting information. p. 4487 - 4493. Retrieved 2020/06/01.