2-(4-(Trifluoromethoxy)phenyl)ethanol

Base Information

• Chemical Name: 2-(4-(Trifluoromethoxy)phenyl)ethanol
• CAS No.: 196811-90-2
• Molecular Formula: C9H9 F3 O2
• Molecular Weight: 206.164
• Hs Code.: 2909499000
• European Community (EC) Number: 626-049-3
• DSSTox Substance ID: DTXSID30444352
• Nikkaji Number: J1.490.436K
• Mol file: 196811-90-2.mol

Synonyms:2-(4-(Trifluoromethoxy)phenyl)ethanol;196811-90-2;2-[4-(Trifluoromethoxy)phenyl]ethanol;2-(4-Trifluoromethoxyphenyl)ethanol;2-[4-(Trifluoromethoxyl)phenyl]ethanol;4-(Trifluoromethoxy)benzeneethanol;Benzeneethanol, 4-(trifluoromethoxy)-;2-(4-(trifluoromethoxy)phenyl)ethan-1-ol;2-[4-(Trifluoromethoxy)phenyl]ethanol, 98%;2-[4-(trifluoromethoxy)phenyl]ethan-1-ol;Fluoroboricacid;SCHEMBL700042;DTXSID30444352;AMY28997;MFCD08276850;2-(4'-trifluoromethoxyphenyl)ethanol;2-(4-trifluoromethoxy-phenyl)-ethanol;AKOS012298916;CS-W021397;EN300-1932398;J-012724

Chemical Property of 2-(4-(Trifluoromethoxy)phenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.075mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 83-86 °C/7.0 mmHg
• PKA: 14.74±0.10(Predicted)
• Flash Point: 78 °C
• PSA: 29.46000
• Density: 1.2774 g/mL at 25 °C
• LogP: 2.12000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 206.05546401
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-(Trifluoromethoxy)phenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)OC(F)(F)F

Technology Process of 2-(4-(Trifluoromethoxy)phenyl)ethanol

There total 4 articles about 2-(4-(Trifluoromethoxy)phenyl)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: 70.0%

oxirane (75-21-8,99932-75-9) + 1-bromo-4-(trifluoromethoxy)benzene (407-14-7) → 2‐[4‐(trifluoromethoxy)phenyl]ethanol (196811-90-2)

Guidance literature:

1-bromo-4-(trifluoromethoxy)benzene; With n-butyllithium; In diethyl ether; hexane; at -75 ℃; for 0.75h;

oxirane; In diethyl ether; hexane; at -75 ℃; Further stages.;

DOI:10.1002/1099-0690(200102)2001:4<691::AID-EJOC691>3.0.CO;2-A

Reference yield:

4-(trifluoromethoxy)phenylacetic acid (4315-07-5) → 2‐[4‐(trifluoromethoxy)phenyl]ethanol (196811-90-2)

Guidance literature:

4-(trifluoromethoxy)phenylacetic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 16h; Inert atmosphere;

With Glauber's salt; In tetrahydrofuran; diethyl ether; at 70 ℃; for 1h;

Reference yield:

2-(4-(trifluoromethoxy)phenyl)acetaldehyde → 2‐[4‐(trifluoromethoxy)phenyl]ethanol (196811-90-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol; dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/ja305660a

upstream raw materials:

oxirane

1-bromo-4-(trifluoromethoxy)benzene

4-(trifluoromethoxy)phenylacetic acid

4-(trifluoromethoxy)aniline

Downstream raw materials:

1-(4-(trifluoromethoxy)benzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

trans-4-(2-bromoethyl)-1-trifluoromethoxybenzene

Refernces

• 1、 -. "3,3-DIFLUORO-PIPERIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS". Paragraph 0245. . Retrieved 2016/09/22.
• 2、 Chernyak, Natalia,Buchwald, Stephen L.. "Erratum: Continuous-flow synthesis of monoarylated acetaldehydes using aryldiazonium salts (Journal of the American Chemical Society (2012) 134 (2466-12469))". supporting information. p. 18147 - 18147,1. Retrieved 2020/10/15.