4-(Trifluoromethoxy)benzyl alcohol

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzyl alcohol
• CAS No.: 1736-74-9
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.138
• Hs Code.: 29094990
• European Community (EC) Number: 642-868-9
• DSSTox Substance ID: DTXSID10169637
• Nikkaji Number: J747.835F
• Wikidata: Q72511334
• Mol file: 1736-74-9.mol

Synonyms:4-(Trifluoromethoxy)benzyl alcohol;1736-74-9;(4-(Trifluoromethoxy)phenyl)methanol;[4-(Trifluoromethoxy)phenyl]methanol;p-Trifluoromethoxybenzyl alcohol;Benzenemethanol, 4-(trifluoromethoxy)-;4-trifluoromethoxybenzyl alcohol;MFCD00036029;4-(Trifluoromethoxy)benzylalcohol;SCHEMBL963834;4-trifluoromethoxy benzyl alcohol;AMY8798;DTXSID10169637;CHEBI:195150;p-(trifluoromethoxy)benzyl alcohol;4-(trifluoromethoxy)benzenemethanol;[4-(triluoromethoxy)phenyl]methanol;[4-(Trifluoromethoxy)pheny]methanol;(4-trifluoromethoxy-phenyl)-methanol;CK1131;AKOS000249058;AC-9760;CS-W010710;PS-8337;SDCCGMLS-0066270.P001;[4-(Trifluoromethoxy)phenyl]methanol #;4-(Trifluoromethoxy)benzyl alcohol, 97%;SY011516;FT-0616885;A22548;EN300-1932879;J-010934

Chemical Property of 4-(Trifluoromethoxy)benzyl alcohol

Chemical Property:

• Appearance/Colour: clear light pink liquid
• Vapor Pressure: 0.169mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 203.4 °C at 760 mmHg
• PKA: 14.03±0.10(Predicted)
• Flash Point: 102.1 °C
• PSA: 29.46000
• Density: 1.337 g/cm³
• LogP: 2.07750
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 192.03981395
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethoxy)benzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)OC(F)(F)F
• Uses: 4-(Trifluoromethoxy)benzyl alcohol is used in biological processes as substrate specificity of inducible O-demethylase of Sporomusa ovata for methoxynaphthols, methoxyfuran and fluoroanisols under anaerobic conditions. 4-(Trifluoromethoxy)benzyl alcohol may be used in chemical synthesis.

Technology Process of 4-(Trifluoromethoxy)benzyl alcohol

There total 13 articles about 4-(Trifluoromethoxy)benzyl alcohol 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: 100.0%

4-trifluoromethoxy-benzoic acid ethyl ester (587-18-8) → 4-trifluoromethoxybenzyl alcohol (1736-74-9)

Guidance literature:

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃;

Reference yield: 89.0%

p-trifluoromethoxybenzaldehyde (659-28-9) → 4-trifluoromethoxybenzyl alcohol (1736-74-9)

Guidance literature:

p-trifluoromethoxybenzaldehyde; With Triethoxysilane; C₂₂H₂₇ClFeNO₃; In [D₃]acetonitrile; at 80 ℃; for 6h;

With water; sodium hydroxide; In methanol; [D₃]acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.201500090

Reference yield: 82.0%

4-trifluoromethoxybenzoic acid (330-12-1) → 4-trifluoromethoxybenzyl alcohol (1736-74-9)

Guidance literature:

4-trifluoromethoxybenzoic acid; With sodium tetrahydroborate; In tetrahydrofuran; at 0 ℃; for 3h;

With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

upstream raw materials:

4-trifluoromethoxy-benzoic acid ethyl ester

4-trifluoromethoxybenzoic acid

p-trifluoromethoxybenzaldehyde

4-(trifluoromethoxy)benzonitrile

Downstream raw materials:

p-trifluoromethoxybenzaldehyde

4-trifluoromethoxybenzyl bromide

{4'-Propoxy-3'-[(4-trifluoromethoxybenzyloxycarbonylamino)-methyl]biphenyl-3-yl}acetic acid

piperazine-1,4-dicarboxylic acid tert-butyl ester 4-trifluoromethoxy-benzyl ester

Refernces

• 1、 Cheng, Dongping,Li, Xiaonian,Ren, Shujian,Xu, Xiaoliang. "Mild oxidation of benzyl alcohols to benzyl aldehydes or ketones catalyzed by visible light". supporting information. . Retrieved 2021/07/02.
• 2、 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". supporting information. p. 237 - 247. Retrieved 2020/02/18.