2,4-Bis(trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 2,4-Bis(trifluoromethyl)benzyl alcohol
• CAS No.: 143158-15-0
• Molecular Formula: C9H6F6O
• Molecular Weight: 244.136
• Hs Code.: 2906299090
• European Community (EC) Number: 670-623-6
• DSSTox Substance ID: DTXSID80371149
• Wikidata: Q82158408
• Mol file: 143158-15-0.mol

Synonyms:2,4-Bis(trifluoromethyl)benzyl alcohol;143158-15-0;(2,4-Bis(trifluoromethyl)phenyl)methanol;[2,4-bis(trifluoromethyl)phenyl]methanol;MFCD00042491;Benzenemethanol,2,4-bis(trifluoromethyl)-;SCHEMBL1993639;DTXSID80371149;CL9296;AKOS015852795;PS-7538;SY227744;CS-0156850;FT-0643353;A808030;2,4-Bis(trifluoromethyl)benzyl alcohol, AldrichCPR

Chemical Property of 2,4-Bis(trifluoromethyl)benzyl alcohol

Chemical Property:

• Vapor Pressure: 0.559mmHg at 25°C
• Melting Point: -41 °C
• Refractive Index: 1.415
• Boiling Point: 181.3 °C at 760 mmHg
• PKA: 13.59±0.10(Predicted)
• Flash Point: 63.4 °C
• PSA: 20.23000
• Density: 1.433 g/cm³
• LogP: 3.21650
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 244.03228378
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Bis(Trifluoromethyl)benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CO

Technology Process of 2,4-Bis(trifluoromethyl)benzyl alcohol

There total 1 articles about 2,4-Bis(trifluoromethyl)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: 96.0%

2,4-bis(trifluoromethyl)benzaldehyde (59664-42-5) → [2,4-bis(trifluoromethyl)phenyl]methanol (143158-15-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 25 ℃; for 0.833333h;

DOI:10.1016/j.ejmech.2010.12.008

Reference yield: 72.0%

triphenylphosphine hydrobromide (6399-81-1) + [2,4-bis(trifluoromethyl)phenyl]methanol (143158-15-0) → triphenyl(2,4-bis(trifluoromethyl)benzyl)phosphonium bromide

Guidance literature:

In tetrahydrofuran; acetonitrile; at 80 ℃; for 5h;

DOI:10.1016/j.ejmech.2010.12.008

Reference yield: 65.0%

4-allyloxy-3-[(E)-3-bromo-1-propenyl]-2,5,6-trimethylpyridine + [2,4-bis(trifluoromethyl)phenyl]methanol (143158-15-0) → 4-allyloxy-3-[(E)-3-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1-propenyl]-2,5,6-trimethylpyridine

Guidance literature:

[2,4-bis(trifluoromethyl)phenyl]methanol; With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.5h; Cooling with ice;

4-allyloxy-3-[(E)-3-bromo-1-propenyl]-2,5,6-trimethylpyridine; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil; at 20 ℃;

upstream raw materials:

2,4-bis(trifluoromethyl)benzaldehyde

Downstream raw materials:

(2E)-3-[2,4-bis(trifluoromethyl)phenyl]-N-indol-5-ylprop-2-enamide

2,4-bis(trifluoromethyl)benzaldehyde

4-[5-[[2,4-bis(trifluoromethyl)benzyl]oxy]-2,3-dihydro-1H-indol-1-yl]-(3R)-[N-(tert-butoxycarbonyl)amino]-4-oxobutyric acid tert-butyl ester

(2E,4E,6E,8E)-9-(2,4-bis(trifluoromethyl)phenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

Refernces